N-[(2-hydroxycyclopentyl)methyl]-N-methylbutane-1-sulfonamide

C11H23NO3S — CID 109395950

IUPACN-[(2-hydroxycyclopentyl)methyl]-N-methylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(C)CC1CCCC1O
InChIInChI=1S/C11H23NO3S/c1-3-4-8-16(14,15)12(2)9-10-6-5-7-11(10)13/h10-11,13H,3-9H2,1-2H3
InChIKeyNAYHXPSQUPKEAI-UHFFFAOYSA-N
MW249.38 g/mol
LogP1.21
Rot. Bonds6

About N-[(2-hydroxycyclopentyl)methyl]-N-methylbutane-1-sulfonamide

N-[(2-hydroxycyclopentyl)methyl]-N-methylbutane-1-sulfonamide (PubChem CID 109395950) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-[(2-hydroxycyclopentyl)methyl]-N-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclopentyl)methyl]-N-methylbutane-1-sulfonamide
PubChem CID109395950
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC NameN-[(2-hydroxycyclopentyl)methyl]-N-methylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(C)CC1CCCC1O
InChIInChI=1S/C11H23NO3S/c1-3-4-8-16(14,15)12(2)9-10-6-5-7-11(10)13/h10-11,13H,3-9H2,1-2H3
InChIKeyNAYHXPSQUPKEAI-UHFFFAOYSA-N
XLogP1.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(oxolan-2-ylmethyl)butane-1-sulfonamide
CID 110733190
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanesulfonamide
CID 109396018
trans-(1S,2S)-1-hydroxy-2-[[[methyl(propyl)sulfamoyl]amino]methyl]cyclopentane
CID 97244865
2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cyclopentan-1-ol
CID 63866134
N-(cyclopentylmethyl)-N-methylpropane-1-sulfonamide
CID 62068860
N-methyl-N-[[(2R)-oxan-2-yl]methyl]pentane-1-sulfonamide
CID 97306297
4-[cyclobutylmethyl(methyl)sulfamoyl]butanoic acid
CID 62862361
N-[(2-hydroxycyclopentyl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 109396009
cis-(1S,2S)-2-hexylcyclopentan-1-ol
CID 10654739
trans-(1R,2S)-2-hexylcyclopentan-1-ol
CID 10797255
acetic acid;2-pentylcyclopentan-1-ol
CID 71231001
2-[[cyclopropylmethyl(propyl)amino]methyl]cyclopentan-1-ol
CID 62609054

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-N-methylbutane-1-sulfonamide?
The IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-N-methylbutane-1-sulfonamide (CID 109395950) is N-[(2-hydroxycyclopentyl)methyl]-N-methylbutane-1-sulfonamide.
What is the SMILES notation for N-[(2-hydroxycyclopentyl)methyl]-N-methylbutane-1-sulfonamide?
The canonical SMILES for N-[(2-hydroxycyclopentyl)methyl]-N-methylbutane-1-sulfonamide is CCCCS(=O)(=O)N(C)CC1CCCC1O.
What is the InChIKey of N-[(2-hydroxycyclopentyl)methyl]-N-methylbutane-1-sulfonamide?
The InChIKey is NAYHXPSQUPKEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-3-4-8-16(14,15)12(2)9-10-6-5-7-11(10)13/h10-11,13H,3-9H2,1-2H3.
What are the key properties of N-[(2-hydroxycyclopentyl)methyl]-N-methylbutane-1-sulfonamide?
N-[(2-hydroxycyclopentyl)methyl]-N-methylbutane-1-sulfonamide has a molecular weight of 249.38 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclopentyl)methyl]-N-methylbutane-1-sulfonamide is sourced from PubChem (CID 109395950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).