N-cyclopentyl-3-methoxypropane-1-sulfonamide

C9H19NO3S — CID 63363106

IUPACN-cyclopentyl-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NC1CCCC1
InChIInChI=1S/C9H19NO3S/c1-13-7-4-8-14(11,12)10-9-5-2-3-6-9/h9-10H,2-8H2,1H3
InChIKeyILEBVQPPYBRSKD-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.88
Rot. Bonds6

About N-cyclopentyl-3-methoxypropane-1-sulfonamide

N-cyclopentyl-3-methoxypropane-1-sulfonamide (PubChem CID 63363106) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is N-cyclopentyl-3-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-3-methoxypropane-1-sulfonamide
PubChem CID63363106
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC NameN-cyclopentyl-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NC1CCCC1
InChIInChI=1S/C9H19NO3S/c1-13-7-4-8-14(11,12)10-9-5-2-3-6-9/h9-10H,2-8H2,1H3
InChIKeyILEBVQPPYBRSKD-UHFFFAOYSA-N
XLogP0.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-cyclopentyl-3-methoxypropane-1-sulfonamide?
The IUPAC name of N-cyclopentyl-3-methoxypropane-1-sulfonamide (CID 63363106) is N-cyclopentyl-3-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-cyclopentyl-3-methoxypropane-1-sulfonamide?
The canonical SMILES for N-cyclopentyl-3-methoxypropane-1-sulfonamide is COCCCS(=O)(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-3-methoxypropane-1-sulfonamide?
The InChIKey is ILEBVQPPYBRSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-13-7-4-8-14(11,12)10-9-5-2-3-6-9/h9-10H,2-8H2,1H3.
What are the key properties of N-cyclopentyl-3-methoxypropane-1-sulfonamide?
N-cyclopentyl-3-methoxypropane-1-sulfonamide has a molecular weight of 221.32 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-methoxypropane-1-sulfonamide is sourced from PubChem (CID 63363106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).