N-[1-(hydroxymethyl)cyclopentyl]-3-methylbutane-1-sulfonamide

C11H23NO3S — CID 63857521

IUPACN-[1-(hydroxymethyl)cyclopentyl]-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)NC1(CO)CCCC1
InChIInChI=1S/C11H23NO3S/c1-10(2)5-8-16(14,15)12-11(9-13)6-3-4-7-11/h10,12-13H,3-9H2,1-2H3
InChIKeyQAGXYCOIQSQTLW-UHFFFAOYSA-N
MW249.38 g/mol
LogP1.26
Rot. Bonds6

About N-[1-(hydroxymethyl)cyclopentyl]-3-methylbutane-1-sulfonamide

N-[1-(hydroxymethyl)cyclopentyl]-3-methylbutane-1-sulfonamide (PubChem CID 63857521) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopentyl]-3-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopentyl]-3-methylbutane-1-sulfonamide
PubChem CID63857521
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC NameN-[1-(hydroxymethyl)cyclopentyl]-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)NC1(CO)CCCC1
InChIInChI=1S/C11H23NO3S/c1-10(2)5-8-16(14,15)12-11(9-13)6-3-4-7-11/h10,12-13H,3-9H2,1-2H3
InChIKeyQAGXYCOIQSQTLW-UHFFFAOYSA-N
XLogP1.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-3-methylbutane-1-sulfonamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-3-methylbutane-1-sulfonamide (CID 63857521) is N-[1-(hydroxymethyl)cyclopentyl]-3-methylbutane-1-sulfonamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopentyl]-3-methylbutane-1-sulfonamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopentyl]-3-methylbutane-1-sulfonamide is CC(C)CCS(=O)(=O)NC1(CO)CCCC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopentyl]-3-methylbutane-1-sulfonamide?
The InChIKey is QAGXYCOIQSQTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-10(2)5-8-16(14,15)12-11(9-13)6-3-4-7-11/h10,12-13H,3-9H2,1-2H3.
What are the key properties of N-[1-(hydroxymethyl)cyclopentyl]-3-methylbutane-1-sulfonamide?
N-[1-(hydroxymethyl)cyclopentyl]-3-methylbutane-1-sulfonamide has a molecular weight of 249.38 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopentyl]-3-methylbutane-1-sulfonamide is sourced from PubChem (CID 63857521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).