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

C12H24ClNO2S — CID 103521739

IUPACN-[(2-chlorocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NCC1CCCC1Cl
InChIInChI=1S/C12H24ClNO2S/c1-12(2,3)7-8-17(15,16)14-9-10-5-4-6-11(10)13/h10-11,14H,4-9H2,1-3H3
InChIKeyFLSIIBVHUBKJMQ-UHFFFAOYSA-N
MW281.85 g/mol
LogP2.75
Rot. Bonds5

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

N-[(2-chlorocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide (PubChem CID 103521739) has the molecular formula C12H24ClNO2S and a molecular weight of 281.85 g/mol. Its IUPAC name is N-[(2-chlorocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2-chlorocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide
PubChem CID103521739
Molecular FormulaC12H24ClNO2S
Molecular Weight281.85 g/mol
Exact Mass281.12
IUPAC NameN-[(2-chlorocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NCC1CCCC1Cl
InChIInChI=1S/C12H24ClNO2S/c1-12(2,3)7-8-17(15,16)14-9-10-5-4-6-11(10)13/h10-11,14H,4-9H2,1-3H3
InChIKeyFLSIIBVHUBKJMQ-UHFFFAOYSA-N
XLogP2.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.85
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[(2-chlorocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-hydroxycyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 103697972
N-[(2-chlorocyclopentyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 79600521
N-[(2-chlorocyclohexyl)methyl]-1-cyclopropylmethanesulfonamide
CID 65032688
N-[(2-chlorocyclohexyl)methyl]cyclopentanesulfonamide
CID 105361712
N-[(2-chlorocyclohexyl)methyl]-1-phenylmethanesulfonamide
CID 65032886
N-[2-(bromomethyl)cyclohexyl]-3,3-dimethylbutane-1-sulfonamide
CID 106367683
N-[(1R,3S)-3-ethylcyclohexyl]-3,3-dimethylbutane-1-sulfonamide
CID 99810517
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 107389889
2-(3,3-dimethylbutylsulfonylamino)acetamide
CID 103521045
N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3,3-dimethylbutane-1-sulfonamide
CID 124615117
N-[[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3,3-dimethylbutane-1-sulfonamide
CID 124615118
N-[(2-methylcyclopentyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
CID 107419516

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-[(2-chlorocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide (CID 103521739) is N-[(2-chlorocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-[(2-chlorocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-[(2-chlorocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide is CC(C)(C)CCS(=O)(=O)NCC1CCCC1Cl.
What is the InChIKey of N-[(2-chlorocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is FLSIIBVHUBKJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO2S/c1-12(2,3)7-8-17(15,16)14-9-10-5-4-6-11(10)13/h10-11,14H,4-9H2,1-3H3.
What are the key properties of N-[(2-chlorocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide?
N-[(2-chlorocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 281.85 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 103521739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).