N-(3-cyclopentylpropyl)-3-methylbutane-1-sulfonamide

C13H27NO2S — CID 56549530

IUPACN-(3-cyclopentylpropyl)-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)NCCCC1CCCC1
InChIInChI=1S/C13H27NO2S/c1-12(2)9-11-17(15,16)14-10-5-8-13-6-3-4-7-13/h12-14H,3-11H2,1-2H3
InChIKeyAKVUNJDEAHVMEK-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.92
Rot. Bonds8

About N-(3-cyclopentylpropyl)-3-methylbutane-1-sulfonamide

N-(3-cyclopentylpropyl)-3-methylbutane-1-sulfonamide (PubChem CID 56549530) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-3-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-3-methylbutane-1-sulfonamide
PubChem CID56549530
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC NameN-(3-cyclopentylpropyl)-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)NCCCC1CCCC1
InChIInChI=1S/C13H27NO2S/c1-12(2)9-11-17(15,16)14-10-5-8-13-6-3-4-7-13/h12-14H,3-11H2,1-2H3
InChIKeyAKVUNJDEAHVMEK-UHFFFAOYSA-N
XLogP2.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-3-methylbutane-1-sulfonamide?
The IUPAC name of N-(3-cyclopentylpropyl)-3-methylbutane-1-sulfonamide (CID 56549530) is N-(3-cyclopentylpropyl)-3-methylbutane-1-sulfonamide.
What is the SMILES notation for N-(3-cyclopentylpropyl)-3-methylbutane-1-sulfonamide?
The canonical SMILES for N-(3-cyclopentylpropyl)-3-methylbutane-1-sulfonamide is CC(C)CCS(=O)(=O)NCCCC1CCCC1.
What is the InChIKey of N-(3-cyclopentylpropyl)-3-methylbutane-1-sulfonamide?
The InChIKey is AKVUNJDEAHVMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-12(2)9-11-17(15,16)14-10-5-8-13-6-3-4-7-13/h12-14H,3-11H2,1-2H3.
What are the key properties of N-(3-cyclopentylpropyl)-3-methylbutane-1-sulfonamide?
N-(3-cyclopentylpropyl)-3-methylbutane-1-sulfonamide has a molecular weight of 261.43 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-3-methylbutane-1-sulfonamide is sourced from PubChem (CID 56549530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).