N-tert-butylcyclopropanesulfonamide;N-tert-butyl-1-(fluoromethyl)cyclopropane-1-sulfonamide;N-tert-butyl-1-formylcyclopropane-1-sulfonamide;N-tert-butyl-1-(hydroxymethyl)cyclopropane-1-sulfonamide;cyclopropanesulfonyl chloride;1-(fluoromethyl)cyclopropane-1-sulfonamide

C38H76ClF2N5O14S6 — CID 160878551

IUPACN-tert-butylcyclopropanesulfonamide;N-tert-butyl-1-(fluoromethyl)cyclopropane-1-sulfonamide;N-tert-butyl-1-formylcyclopropane-1-sulfonamide;N-tert-butyl-1-(hydroxymethyl)cyclopropane-1-sulfonamide;cyclopropanesulfonyl chloride;1-(fluoromethyl)cyclopropane-1-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)C1(C=O)CC1.CC(C)(C)NS(=O)(=O)C1(CF)CC1.CC(C)(C)NS(=O)(=O)C1(CO)CC1.CC(C)(C)NS(=O)(=O)C1CC1.NS(=O)(=O)C1(CF)CC1.O=S(=O)(Cl)C1CC1
InChIInChI=1S/C8H16FNO2S.C8H17NO3S.C8H15NO3S.C7H15NO2S.C4H8FNO2S.C3H5ClO2S/c1-7(2,3)10-13(11,12)8(6-9)4-5-8;2*1-7(2,3)9-13(11,12)8(6-10)4-5-8;1-7(2,3)8-11(9,10)6-4-5-6;5-3-4(1-2-4)9(6,7)8;4-7(5,6)3-1-2-3/h10H,4-6H2,1-3H3;9-10H,4-6H2,1-3H3;6,9H,4-5H2,1-3H3;6,8H,4-5H2,1-3H3;1-3H2,(H2,6,7,8);3H,1-2H2
InChIKeySMSKWHLQMWOQCK-UHFFFAOYSA-N
MW1092.90 g/mol
LogP3.23
Rot. Bonds14

About N-tert-butylcyclopropanesulfonamide;N-tert-butyl-1-(fluoromethyl)cyclopropane-1-sulfonamide;N-tert-butyl-1-formylcyclopropane-1-sulfonamide;N-tert-butyl-1-(hydroxymethyl)cyclopropane-1-sulfonamide;cyclopropanesulfonyl chloride;1-(fluoromethyl)cyclopropane-1-sulfonamide

N-tert-butylcyclopropanesulfonamide;N-tert-butyl-1-(fluoromethyl)cyclopropane-1-sulfonamide;N-tert-butyl-1-formylcyclopropane-1-sulfonamide;N-tert-butyl-1-(hydroxymethyl)cyclopropane-1-sulfonamide;cyclopropanesulfonyl chloride;1-(fluoromethyl)cyclopropane-1-sulfonamide (PubChem CID 160878551) has the molecular formula C38H76ClF2N5O14S6 and a molecular weight of 1092.90 g/mol. Its IUPAC name is N-tert-butylcyclopropanesulfonamide;N-tert-butyl-1-(fluoromethyl)cyclopropane-1-sulfonamide;N-tert-butyl-1-formylcyclopropane-1-sulfonamide;N-tert-butyl-1-(hydroxymethyl)cyclopropane-1-sulfonamide;cyclopropanesulfonyl chloride;1-(fluoromethyl)cyclopropane-1-sulfonamide.

Molecular Properties

Compound NameN-tert-butylcyclopropanesulfonamide;N-tert-butyl-1-(fluoromethyl)cyclopropane-1-sulfonamide;N-tert-butyl-1-formylcyclopropane-1-sulfonamide;N-tert-butyl-1-(hydroxymethyl)cyclopropane-1-sulfonamide;cyclopropanesulfonyl chloride;1-(fluoromethyl)cyclopropane-1-sulfonamide
PubChem CID160878551
Molecular FormulaC38H76ClF2N5O14S6
Molecular Weight1092.90 g/mol
Exact Mass1091.34
IUPAC NameN-tert-butylcyclopropanesulfonamide;N-tert-butyl-1-(fluoromethyl)cyclopropane-1-sulfonamide;N-tert-butyl-1-formylcyclopropane-1-sulfonamide;N-tert-butyl-1-(hydroxymethyl)cyclopropane-1-sulfonamide;cyclopropanesulfonyl chloride;1-(fluoromethyl)cyclopropane-1-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)C1(C=O)CC1.CC(C)(C)NS(=O)(=O)C1(CF)CC1.CC(C)(C)NS(=O)(=O)C1(CO)CC1.CC(C)(C)NS(=O)(=O)C1CC1.NS(=O)(=O)C1(CF)CC1.O=S(=O)(Cl)C1CC1
InChIInChI=1S/C8H16FNO2S.C8H17NO3S.C8H15NO3S.C7H15NO2S.C4H8FNO2S.C3H5ClO2S/c1-7(2,3)10-13(11,12)8(6-9)4-5-8;2*1-7(2,3)9-13(11,12)8(6-10)4-5-8;1-7(2,3)8-11(9,10)6-4-5-6;5-3-4(1-2-4)9(6,7)8;4-7(5,6)3-1-2-3/h10H,4-6H2,1-3H3;9-10H,4-6H2,1-3H3;6,9H,4-5H2,1-3H3;6,8H,4-5H2,1-3H3;1-3H2,(H2,6,7,8);3H,1-2H2
InChIKeySMSKWHLQMWOQCK-UHFFFAOYSA-N
XLogP3.23
TPSA316.28 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001092.90
LogP ≤ 53.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-tert-butylcyclopropanesulfonamide;N-tert-butyl-1-(fluoromethyl)cyclopropane-1-sulfonamide;N-tert-butyl-1-formylcyclopropane-1-sulfonamide;N-tert-butyl-1-(hydroxymethyl)cyclopropane-1-sulfonamide;cyclopropanesulfonyl chloride;1-(fluoromethyl)cyclopropane-1-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylcyclopropanesulfonamide;N-tert-butyl-1-(fluoromethyl)cyclopropane-1-sulfonamide;N-tert-butyl-1-formylcyclopropane-1-sulfonamide;N-tert-butyl-1-(hydroxymethyl)cyclopropane-1-sulfonamide;cyclopropanesulfonyl chloride;1-(fluoromethyl)cyclopropane-1-sulfonamide?
The IUPAC name of N-tert-butylcyclopropanesulfonamide;N-tert-butyl-1-(fluoromethyl)cyclopropane-1-sulfonamide;N-tert-butyl-1-formylcyclopropane-1-sulfonamide;N-tert-butyl-1-(hydroxymethyl)cyclopropane-1-sulfonamide;cyclopropanesulfonyl chloride;1-(fluoromethyl)cyclopropane-1-sulfonamide (CID 160878551) is N-tert-butylcyclopropanesulfonamide;N-tert-butyl-1-(fluoromethyl)cyclopropane-1-sulfonamide;N-tert-butyl-1-formylcyclopropane-1-sulfonamide;N-tert-butyl-1-(hydroxymethyl)cyclopropane-1-sulfonamide;cyclopropanesulfonyl chloride;1-(fluoromethyl)cyclopropane-1-sulfonamide.
What is the SMILES notation for N-tert-butylcyclopropanesulfonamide;N-tert-butyl-1-(fluoromethyl)cyclopropane-1-sulfonamide;N-tert-butyl-1-formylcyclopropane-1-sulfonamide;N-tert-butyl-1-(hydroxymethyl)cyclopropane-1-sulfonamide;cyclopropanesulfonyl chloride;1-(fluoromethyl)cyclopropane-1-sulfonamide?
The canonical SMILES for N-tert-butylcyclopropanesulfonamide;N-tert-butyl-1-(fluoromethyl)cyclopropane-1-sulfonamide;N-tert-butyl-1-formylcyclopropane-1-sulfonamide;N-tert-butyl-1-(hydroxymethyl)cyclopropane-1-sulfonamide;cyclopropanesulfonyl chloride;1-(fluoromethyl)cyclopropane-1-sulfonamide is CC(C)(C)NS(=O)(=O)C1(C=O)CC1.CC(C)(C)NS(=O)(=O)C1(CF)CC1.CC(C)(C)NS(=O)(=O)C1(CO)CC1.CC(C)(C)NS(=O)(=O)C1CC1.NS(=O)(=O)C1(CF)CC1.O=S(=O)(Cl)C1CC1.
What is the InChIKey of N-tert-butylcyclopropanesulfonamide;N-tert-butyl-1-(fluoromethyl)cyclopropane-1-sulfonamide;N-tert-butyl-1-formylcyclopropane-1-sulfonamide;N-tert-butyl-1-(hydroxymethyl)cyclopropane-1-sulfonamide;cyclopropanesulfonyl chloride;1-(fluoromethyl)cyclopropane-1-sulfonamide?
The InChIKey is SMSKWHLQMWOQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2S.C8H17NO3S.C8H15NO3S.C7H15NO2S.C4H8FNO2S.C3H5ClO2S/c1-7(2,3)10-13(11,12)8(6-9)4-5-8;2*1-7(2,3)9-13(11,12)8(6-10)4-5-8;1-7(2,3)8-11(9,10)6-4-5-6;5-3-4(1-2-4)9(6,7)8;4-7(5,6)3-1-2-3/h10H,4-6H2,1-3H3;9-10H,4-6H2,1-3H3;6,9H,4-5H2,1-3H3;6,8H,4-5H2,1-3H3;1-3H2,(H2,6,7,8);3H,1-2H2.
What are the key properties of N-tert-butylcyclopropanesulfonamide;N-tert-butyl-1-(fluoromethyl)cyclopropane-1-sulfonamide;N-tert-butyl-1-formylcyclopropane-1-sulfonamide;N-tert-butyl-1-(hydroxymethyl)cyclopropane-1-sulfonamide;cyclopropanesulfonyl chloride;1-(fluoromethyl)cyclopropane-1-sulfonamide?
N-tert-butylcyclopropanesulfonamide;N-tert-butyl-1-(fluoromethyl)cyclopropane-1-sulfonamide;N-tert-butyl-1-formylcyclopropane-1-sulfonamide;N-tert-butyl-1-(hydroxymethyl)cyclopropane-1-sulfonamide;cyclopropanesulfonyl chloride;1-(fluoromethyl)cyclopropane-1-sulfonamide has a molecular weight of 1092.90 g/mol, XLogP of 3.23, 14 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylcyclopropanesulfonamide;N-tert-butyl-1-(fluoromethyl)cyclopropane-1-sulfonamide;N-tert-butyl-1-formylcyclopropane-1-sulfonamide;N-tert-butyl-1-(hydroxymethyl)cyclopropane-1-sulfonamide;cyclopropanesulfonyl chloride;1-(fluoromethyl)cyclopropane-1-sulfonamide is sourced from PubChem (CID 160878551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).