N-(3-cycloheptylpropyl)methanesulfonamide

C11H23NO2S — CID 54015622

IUPACN-(3-cycloheptylpropyl)methanesulfonamide
SMILESCS(=O)(=O)NCCCC1CCCCCC1
InChIInChI=1S/C11H23NO2S/c1-15(13,14)12-10-6-9-11-7-4-2-3-5-8-11/h11-12H,2-10H2,1H3
InChIKeyJRWZAOMNWHPING-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.29
Rot. Bonds5

About N-(3-cycloheptylpropyl)methanesulfonamide

N-(3-cycloheptylpropyl)methanesulfonamide (PubChem CID 54015622) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is N-(3-cycloheptylpropyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-cycloheptylpropyl)methanesulfonamide
PubChem CID54015622
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC NameN-(3-cycloheptylpropyl)methanesulfonamide
SMILESCS(=O)(=O)NCCCC1CCCCCC1
InChIInChI=1S/C11H23NO2S/c1-15(13,14)12-10-6-9-11-7-4-2-3-5-8-11/h11-12H,2-10H2,1H3
InChIKeyJRWZAOMNWHPING-UHFFFAOYSA-N
XLogP2.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.29
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-cycloheptylpropyl)methanesulfonamide?
The IUPAC name of N-(3-cycloheptylpropyl)methanesulfonamide (CID 54015622) is N-(3-cycloheptylpropyl)methanesulfonamide.
What is the SMILES notation for N-(3-cycloheptylpropyl)methanesulfonamide?
The canonical SMILES for N-(3-cycloheptylpropyl)methanesulfonamide is CS(=O)(=O)NCCCC1CCCCCC1.
What is the InChIKey of N-(3-cycloheptylpropyl)methanesulfonamide?
The InChIKey is JRWZAOMNWHPING-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-15(13,14)12-10-6-9-11-7-4-2-3-5-8-11/h11-12H,2-10H2,1H3.
What are the key properties of N-(3-cycloheptylpropyl)methanesulfonamide?
N-(3-cycloheptylpropyl)methanesulfonamide has a molecular weight of 233.38 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cycloheptylpropyl)methanesulfonamide is sourced from PubChem (CID 54015622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).