N-tert-butyl-N-prop-2-enylcyclopropanesulfonamide

C10H19NO2S — CID 66752908

IUPACN-tert-butyl-N-prop-2-enylcyclopropanesulfonamide
SMILESC=CCN(C(C)(C)C)S(=O)(=O)C1CC1
InChIInChI=1S/C10H19NO2S/c1-5-8-11(10(2,3)4)14(12,13)9-6-7-9/h5,9H,1,6-8H2,2-4H3
InChIKeyHEGOBKWBGARTRT-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.77
Rot. Bonds4

About N-tert-butyl-N-prop-2-enylcyclopropanesulfonamide

N-tert-butyl-N-prop-2-enylcyclopropanesulfonamide (PubChem CID 66752908) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is N-tert-butyl-N-prop-2-enylcyclopropanesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-N-prop-2-enylcyclopropanesulfonamide
PubChem CID66752908
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC NameN-tert-butyl-N-prop-2-enylcyclopropanesulfonamide
SMILESC=CCN(C(C)(C)C)S(=O)(=O)C1CC1
InChIInChI=1S/C10H19NO2S/c1-5-8-11(10(2,3)4)14(12,13)9-6-7-9/h5,9H,1,6-8H2,2-4H3
InChIKeyHEGOBKWBGARTRT-UHFFFAOYSA-N
XLogP1.77
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-prop-2-enylcyclopropanesulfonamide?
The IUPAC name of N-tert-butyl-N-prop-2-enylcyclopropanesulfonamide (CID 66752908) is N-tert-butyl-N-prop-2-enylcyclopropanesulfonamide.
What is the SMILES notation for N-tert-butyl-N-prop-2-enylcyclopropanesulfonamide?
The canonical SMILES for N-tert-butyl-N-prop-2-enylcyclopropanesulfonamide is C=CCN(C(C)(C)C)S(=O)(=O)C1CC1.
What is the InChIKey of N-tert-butyl-N-prop-2-enylcyclopropanesulfonamide?
The InChIKey is HEGOBKWBGARTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-5-8-11(10(2,3)4)14(12,13)9-6-7-9/h5,9H,1,6-8H2,2-4H3.
What are the key properties of N-tert-butyl-N-prop-2-enylcyclopropanesulfonamide?
N-tert-butyl-N-prop-2-enylcyclopropanesulfonamide has a molecular weight of 217.33 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-prop-2-enylcyclopropanesulfonamide is sourced from PubChem (CID 66752908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).