N-[2-(4-cyclopentylcyclohex-3-en-1-yl)propyl]propane-2-sulfonamide

C17H31NO2S — CID 15541827

IUPACN-[2-(4-cyclopentylcyclohex-3-en-1-yl)propyl]propane-2-sulfonamide
SMILESCC(CNS(=O)(=O)C(C)C)C1CC=C(C2CCCC2)CC1
InChIInChI=1S/C17H31NO2S/c1-13(2)21(19,20)18-12-14(3)15-8-10-17(11-9-15)16-6-4-5-7-16/h10,13-16,18H,4-9,11-12H2,1-3H3
InChIKeyVISBCFOXLMZFCS-UHFFFAOYSA-N
MW313.51 g/mol
LogP3.87
Rot. Bonds6

About N-[2-(4-cyclopentylcyclohex-3-en-1-yl)propyl]propane-2-sulfonamide

N-[2-(4-cyclopentylcyclohex-3-en-1-yl)propyl]propane-2-sulfonamide (PubChem CID 15541827) has the molecular formula C17H31NO2S and a molecular weight of 313.51 g/mol. Its IUPAC name is N-[2-(4-cyclopentylcyclohex-3-en-1-yl)propyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-cyclopentylcyclohex-3-en-1-yl)propyl]propane-2-sulfonamide
PubChem CID15541827
Molecular FormulaC17H31NO2S
Molecular Weight313.51 g/mol
Exact Mass313.21
IUPAC NameN-[2-(4-cyclopentylcyclohex-3-en-1-yl)propyl]propane-2-sulfonamide
SMILESCC(CNS(=O)(=O)C(C)C)C1CC=C(C2CCCC2)CC1
InChIInChI=1S/C17H31NO2S/c1-13(2)21(19,20)18-12-14(3)15-8-10-17(11-9-15)16-6-4-5-7-16/h10,13-16,18H,4-9,11-12H2,1-3H3
InChIKeyVISBCFOXLMZFCS-UHFFFAOYSA-N
XLogP3.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.51
LogP ≤ 53.87
H-Bond Donors ≤ 51
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-[2-(4-cyclopentylcyclohex-3-en-1-yl)propyl]propane-2-sulfonamide?
The IUPAC name of N-[2-(4-cyclopentylcyclohex-3-en-1-yl)propyl]propane-2-sulfonamide (CID 15541827) is N-[2-(4-cyclopentylcyclohex-3-en-1-yl)propyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-(4-cyclopentylcyclohex-3-en-1-yl)propyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-(4-cyclopentylcyclohex-3-en-1-yl)propyl]propane-2-sulfonamide is CC(CNS(=O)(=O)C(C)C)C1CC=C(C2CCCC2)CC1.
What is the InChIKey of N-[2-(4-cyclopentylcyclohex-3-en-1-yl)propyl]propane-2-sulfonamide?
The InChIKey is VISBCFOXLMZFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2S/c1-13(2)21(19,20)18-12-14(3)15-8-10-17(11-9-15)16-6-4-5-7-16/h10,13-16,18H,4-9,11-12H2,1-3H3.
What are the key properties of N-[2-(4-cyclopentylcyclohex-3-en-1-yl)propyl]propane-2-sulfonamide?
N-[2-(4-cyclopentylcyclohex-3-en-1-yl)propyl]propane-2-sulfonamide has a molecular weight of 313.51 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopentylcyclohex-3-en-1-yl)propyl]propane-2-sulfonamide is sourced from PubChem (CID 15541827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).