N-pentylethanesulfonamide

C7H17NO2S — CID 3613996

IUPACN-pentylethanesulfonamide
SMILESCCCCCNS(=O)(=O)CC
InChIInChI=1S/C7H17NO2S/c1-3-5-6-7-8-11(9,10)4-2/h8H,3-7H2,1-2H3
InChIKeyLRHVSSPCKJTRAA-UHFFFAOYSA-N
MW179.28 g/mol
LogP1.12
Rot. Bonds6

About N-pentylethanesulfonamide

N-pentylethanesulfonamide (PubChem CID 3613996) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is N-pentylethanesulfonamide.

Molecular Properties

Compound NameN-pentylethanesulfonamide
PubChem CID3613996
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC NameN-pentylethanesulfonamide
SMILESCCCCCNS(=O)(=O)CC
InChIInChI=1S/C7H17NO2S/c1-3-5-6-7-8-11(9,10)4-2/h8H,3-7H2,1-2H3
InChIKeyLRHVSSPCKJTRAA-UHFFFAOYSA-N
XLogP1.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 51.12
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-pentylethanesulfonamide?
The IUPAC name of N-pentylethanesulfonamide (CID 3613996) is N-pentylethanesulfonamide.
What is the SMILES notation for N-pentylethanesulfonamide?
The canonical SMILES for N-pentylethanesulfonamide is CCCCCNS(=O)(=O)CC.
What is the InChIKey of N-pentylethanesulfonamide?
The InChIKey is LRHVSSPCKJTRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-3-5-6-7-8-11(9,10)4-2/h8H,3-7H2,1-2H3.
What are the key properties of N-pentylethanesulfonamide?
N-pentylethanesulfonamide has a molecular weight of 179.28 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentylethanesulfonamide is sourced from PubChem (CID 3613996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).