N-tert-butyl-1-formylcyclopropane-1-sulfonamide

C8H15NO3S — CID 86683169

IUPACN-tert-butyl-1-formylcyclopropane-1-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)C1(C=O)CC1
InChIInChI=1S/C8H15NO3S/c1-7(2,3)9-13(11,12)8(6-10)4-5-8/h6,9H,4-5H2,1-3H3
InChIKeyHWRWXSHAVJWSCE-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.44
Rot. Bonds3

About N-tert-butyl-1-formylcyclopropane-1-sulfonamide

N-tert-butyl-1-formylcyclopropane-1-sulfonamide (PubChem CID 86683169) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is N-tert-butyl-1-formylcyclopropane-1-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-1-formylcyclopropane-1-sulfonamide
PubChem CID86683169
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC NameN-tert-butyl-1-formylcyclopropane-1-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)C1(C=O)CC1
InChIInChI=1S/C8H15NO3S/c1-7(2,3)9-13(11,12)8(6-10)4-5-8/h6,9H,4-5H2,1-3H3
InChIKeyHWRWXSHAVJWSCE-UHFFFAOYSA-N
XLogP0.44
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-formylcyclopropane-1-sulfonamide?
The IUPAC name of N-tert-butyl-1-formylcyclopropane-1-sulfonamide (CID 86683169) is N-tert-butyl-1-formylcyclopropane-1-sulfonamide.
What is the SMILES notation for N-tert-butyl-1-formylcyclopropane-1-sulfonamide?
The canonical SMILES for N-tert-butyl-1-formylcyclopropane-1-sulfonamide is CC(C)(C)NS(=O)(=O)C1(C=O)CC1.
What is the InChIKey of N-tert-butyl-1-formylcyclopropane-1-sulfonamide?
The InChIKey is HWRWXSHAVJWSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-7(2,3)9-13(11,12)8(6-10)4-5-8/h6,9H,4-5H2,1-3H3.
What are the key properties of N-tert-butyl-1-formylcyclopropane-1-sulfonamide?
N-tert-butyl-1-formylcyclopropane-1-sulfonamide has a molecular weight of 205.28 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-formylcyclopropane-1-sulfonamide is sourced from PubChem (CID 86683169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).