N-[1-(hydroxymethyl)cyclopentyl]-3,3-dimethylbutane-1-sulfonamide

C12H25NO3S — CID 103521346

IUPACN-[1-(hydroxymethyl)cyclopentyl]-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NC1(CO)CCCC1
InChIInChI=1S/C12H25NO3S/c1-11(2,3)8-9-17(15,16)13-12(10-14)6-4-5-7-12/h13-14H,4-10H2,1-3H3
InChIKeyNOZICNJPSJTEFN-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.65
Rot. Bonds5

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

N-[1-(hydroxymethyl)cyclopentyl]-3,3-dimethylbutane-1-sulfonamide (PubChem CID 103521346) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopentyl]-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopentyl]-3,3-dimethylbutane-1-sulfonamide
PubChem CID103521346
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC NameN-[1-(hydroxymethyl)cyclopentyl]-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NC1(CO)CCCC1
InChIInChI=1S/C12H25NO3S/c1-11(2,3)8-9-17(15,16)13-12(10-14)6-4-5-7-12/h13-14H,4-10H2,1-3H3
InChIKeyNOZICNJPSJTEFN-UHFFFAOYSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclohexyl]-3,3-dimethylbutane-1-sulfonamide
CID 103520688
N-[1-(hydroxymethyl)cyclopentyl]-3-methylbutane-1-sulfonamide
CID 63857521
N-[1-(hydroxymethyl)cyclohexyl]-2-methoxyethanesulfonamide
CID 62520965
N-[1-(hydroxymethyl)cyclobutyl]butane-1-sulfonamide
CID 115903061
N-[1-(hydroxymethyl)cyclopentyl]methanesulfonamide
CID 62520336
4-[[1-(hydroxymethyl)cyclohexyl]sulfamoyl]butanoic acid
CID 62552006
N-[1-(hydroxymethyl)cyclohexyl]-2-phenylethanesulfonamide
CID 62519905
1-(dimethylsulfamoylamino)-1-(hydroxymethyl)cyclopentane
CID 62521242
3-chloro-N-[1-(hydroxymethyl)cyclohexyl]-2-methylpropane-1-sulfonamide
CID 79585971
methyl 4-[[1-(hydroxymethyl)cyclopropyl]sulfamoyl]butanoate
CID 115902866
methyl N-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]carbamate
CID 114464182
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide
CID 63290378

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-3,3-dimethylbutane-1-sulfonamide (CID 103521346) is N-[1-(hydroxymethyl)cyclopentyl]-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopentyl]-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopentyl]-3,3-dimethylbutane-1-sulfonamide is CC(C)(C)CCS(=O)(=O)NC1(CO)CCCC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopentyl]-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is NOZICNJPSJTEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-11(2,3)8-9-17(15,16)13-12(10-14)6-4-5-7-12/h13-14H,4-10H2,1-3H3.
What are the key properties of N-[1-(hydroxymethyl)cyclopentyl]-3,3-dimethylbutane-1-sulfonamide?
N-[1-(hydroxymethyl)cyclopentyl]-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 263.40 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopentyl]-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 103521346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).