N-[(2-hydroxycyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide

C12H25NO3S — CID 103697972

IUPACN-[(2-hydroxycyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NCC1CCCC1O
InChIInChI=1S/C12H25NO3S/c1-12(2,3)7-8-17(15,16)13-9-10-5-4-6-11(10)14/h10-11,13-14H,4-9H2,1-3H3
InChIKeyGIAWWXFVYCMIGQ-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.50
Rot. Bonds5

About N-[(2-hydroxycyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide

N-[(2-hydroxycyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide (PubChem CID 103697972) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is N-[(2-hydroxycyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide
PubChem CID103697972
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC NameN-[(2-hydroxycyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NCC1CCCC1O
InChIInChI=1S/C12H25NO3S/c1-12(2,3)7-8-17(15,16)13-9-10-5-4-6-11(10)14/h10-11,13-14H,4-9H2,1-3H3
InChIKeyGIAWWXFVYCMIGQ-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521739
N-[(2-hydroxycyclohexyl)methyl]-2-methylsulfonylethanesulfonamide
CID 64911395
N-[(2-hydroxycyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide
CID 82843046
N-[(2-hydroxycyclohexyl)methyl]-2-methoxyethanesulfonamide
CID 64913483
3-chloro-N-[(2-hydroxycyclohexyl)methyl]propane-1-sulfonamide
CID 64912535
3-[(2-hydroxycyclohexyl)methylsulfamoyl]propanoic acid
CID 64929072
4-chloro-N-[(2-hydroxycyclohexyl)methyl]butane-1-sulfonamide
CID 116816252
N-[(2-hydroxycyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 79593790
2-[[(methylsulfonimidoyl)amino]methyl]cyclohexan-1-ol
CID 164656075
1-hydroxy-2-[(sulfamoylamino)methyl]cyclopentane
CID 112695783
3-chloro-N-[(2-hydroxycyclopentyl)methyl]-2-methylpropane-1-sulfonamide
CID 79588970
trans-(1S,2S)-1-hydroxy-2-[[[methyl(propyl)sulfamoyl]amino]methyl]cyclopentane
CID 97244865

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide (CID 103697972) is N-[(2-hydroxycyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-[(2-hydroxycyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-[(2-hydroxycyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide is CC(C)(C)CCS(=O)(=O)NCC1CCCC1O.
What is the InChIKey of N-[(2-hydroxycyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is GIAWWXFVYCMIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-12(2,3)7-8-17(15,16)13-9-10-5-4-6-11(10)14/h10-11,13-14H,4-9H2,1-3H3.
What are the key properties of N-[(2-hydroxycyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide?
N-[(2-hydroxycyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 263.40 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 103697972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).