N-(5-hydroxypentyl)-N-methylpropane-1-sulfonamide

C9H21NO3S — CID 103924571

IUPACN-(5-hydroxypentyl)-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)CCCCCO
InChIInChI=1S/C9H21NO3S/c1-3-9-14(12,13)10(2)7-5-4-6-8-11/h11H,3-9H2,1-2H3
InChIKeyQRNPGWBYJYURAC-UHFFFAOYSA-N
MW223.34 g/mol
LogP0.82
Rot. Bonds8

About N-(5-hydroxypentyl)-N-methylpropane-1-sulfonamide

N-(5-hydroxypentyl)-N-methylpropane-1-sulfonamide (PubChem CID 103924571) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-N-methylpropane-1-sulfonamide
PubChem CID103924571
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC NameN-(5-hydroxypentyl)-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)CCCCCO
InChIInChI=1S/C9H21NO3S/c1-3-9-14(12,13)10(2)7-5-4-6-8-11/h11H,3-9H2,1-2H3
InChIKeyQRNPGWBYJYURAC-UHFFFAOYSA-N
XLogP0.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 50.82
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-(5-hydroxypentyl)-N-methylpropane-1-sulfonamide?
The IUPAC name of N-(5-hydroxypentyl)-N-methylpropane-1-sulfonamide (CID 103924571) is N-(5-hydroxypentyl)-N-methylpropane-1-sulfonamide.
What is the SMILES notation for N-(5-hydroxypentyl)-N-methylpropane-1-sulfonamide?
The canonical SMILES for N-(5-hydroxypentyl)-N-methylpropane-1-sulfonamide is CCCS(=O)(=O)N(C)CCCCCO.
What is the InChIKey of N-(5-hydroxypentyl)-N-methylpropane-1-sulfonamide?
The InChIKey is QRNPGWBYJYURAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3S/c1-3-9-14(12,13)10(2)7-5-4-6-8-11/h11H,3-9H2,1-2H3.
What are the key properties of N-(5-hydroxypentyl)-N-methylpropane-1-sulfonamide?
N-(5-hydroxypentyl)-N-methylpropane-1-sulfonamide has a molecular weight of 223.34 g/mol, XLogP of 0.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 103924571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).