N-(3-bicyclo[3.1.0]hexanyl)propane-2-sulfonamide

C9H17NO2S — CID 130974894

IUPACN-(3-bicyclo[3.1.0]hexanyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CC2CC2C1
InChIInChI=1S/C9H17NO2S/c1-6(2)13(11,12)10-9-4-7-3-8(7)5-9/h6-10H,3-5H2,1-2H3
InChIKeyMOBGDXKKCXUIKJ-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.11
Rot. Bonds3

About N-(3-bicyclo[3.1.0]hexanyl)propane-2-sulfonamide

N-(3-bicyclo[3.1.0]hexanyl)propane-2-sulfonamide (PubChem CID 130974894) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is N-(3-bicyclo[3.1.0]hexanyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(3-bicyclo[3.1.0]hexanyl)propane-2-sulfonamide
PubChem CID130974894
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC NameN-(3-bicyclo[3.1.0]hexanyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CC2CC2C1
InChIInChI=1S/C9H17NO2S/c1-6(2)13(11,12)10-9-4-7-3-8(7)5-9/h6-10H,3-5H2,1-2H3
InChIKeyMOBGDXKKCXUIKJ-UHFFFAOYSA-N
XLogP1.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-bicyclo[3.1.0]hexanyl)propane-2-sulfonamide?
The IUPAC name of N-(3-bicyclo[3.1.0]hexanyl)propane-2-sulfonamide (CID 130974894) is N-(3-bicyclo[3.1.0]hexanyl)propane-2-sulfonamide.
What is the SMILES notation for N-(3-bicyclo[3.1.0]hexanyl)propane-2-sulfonamide?
The canonical SMILES for N-(3-bicyclo[3.1.0]hexanyl)propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CC2CC2C1.
What is the InChIKey of N-(3-bicyclo[3.1.0]hexanyl)propane-2-sulfonamide?
The InChIKey is MOBGDXKKCXUIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-6(2)13(11,12)10-9-4-7-3-8(7)5-9/h6-10H,3-5H2,1-2H3.
What are the key properties of N-(3-bicyclo[3.1.0]hexanyl)propane-2-sulfonamide?
N-(3-bicyclo[3.1.0]hexanyl)propane-2-sulfonamide has a molecular weight of 203.31 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bicyclo[3.1.0]hexanyl)propane-2-sulfonamide is sourced from PubChem (CID 130974894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).