N-(5-hydroxypentyl)-N,2-dimethylpropane-1-sulfonamide

C10H23NO3S — CID 107203060

IUPACN-(5-hydroxypentyl)-N,2-dimethylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)N(C)CCCCCO
InChIInChI=1S/C10H23NO3S/c1-10(2)9-15(13,14)11(3)7-5-4-6-8-12/h10,12H,4-9H2,1-3H3
InChIKeyCPOJOHLBDJGFIM-UHFFFAOYSA-N
MW237.36 g/mol
LogP1.07
Rot. Bonds8

About N-(5-hydroxypentyl)-N,2-dimethylpropane-1-sulfonamide

N-(5-hydroxypentyl)-N,2-dimethylpropane-1-sulfonamide (PubChem CID 107203060) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-N,2-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-N,2-dimethylpropane-1-sulfonamide
PubChem CID107203060
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC NameN-(5-hydroxypentyl)-N,2-dimethylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)N(C)CCCCCO
InChIInChI=1S/C10H23NO3S/c1-10(2)9-15(13,14)11(3)7-5-4-6-8-12/h10,12H,4-9H2,1-3H3
InChIKeyCPOJOHLBDJGFIM-UHFFFAOYSA-N
XLogP1.07
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 51.07
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,2-dimethylpropane-1-sulfonamide?
The IUPAC name of N-(5-hydroxypentyl)-N,2-dimethylpropane-1-sulfonamide (CID 107203060) is N-(5-hydroxypentyl)-N,2-dimethylpropane-1-sulfonamide.
What is the SMILES notation for N-(5-hydroxypentyl)-N,2-dimethylpropane-1-sulfonamide?
The canonical SMILES for N-(5-hydroxypentyl)-N,2-dimethylpropane-1-sulfonamide is CC(C)CS(=O)(=O)N(C)CCCCCO.
What is the InChIKey of N-(5-hydroxypentyl)-N,2-dimethylpropane-1-sulfonamide?
The InChIKey is CPOJOHLBDJGFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-10(2)9-15(13,14)11(3)7-5-4-6-8-12/h10,12H,4-9H2,1-3H3.
What are the key properties of N-(5-hydroxypentyl)-N,2-dimethylpropane-1-sulfonamide?
N-(5-hydroxypentyl)-N,2-dimethylpropane-1-sulfonamide has a molecular weight of 237.36 g/mol, XLogP of 1.07, 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,2-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 107203060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).