2-chloro-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]ethanesulfonamide

C12H25ClN2O2S — CID 107651664

IUPAC2-chloro-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]ethanesulfonamide
SMILESCC1CCCC(CNS(=O)(=O)CCCl)(N(C)C)C1
InChIInChI=1S/C12H25ClN2O2S/c1-11-5-4-6-12(9-11,15(2)3)10-14-18(16,17)8-7-13/h11,14H,4-10H2,1-3H3
InChIKeyYLYBJRZFSIKTQH-UHFFFAOYSA-N
MW296.86 g/mol
LogP1.66
Rot. Bonds6

About 2-chloro-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]ethanesulfonamide

2-chloro-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]ethanesulfonamide (PubChem CID 107651664) has the molecular formula C12H25ClN2O2S and a molecular weight of 296.86 g/mol. Its IUPAC name is 2-chloro-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]ethanesulfonamide
PubChem CID107651664
Molecular FormulaC12H25ClN2O2S
Molecular Weight296.86 g/mol
Exact Mass296.13
IUPAC Name2-chloro-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]ethanesulfonamide
SMILESCC1CCCC(CNS(=O)(=O)CCCl)(N(C)C)C1
InChIInChI=1S/C12H25ClN2O2S/c1-11-5-4-6-12(9-11,15(2)3)10-14-18(16,17)8-7-13/h11,14H,4-10H2,1-3H3
InChIKeyYLYBJRZFSIKTQH-UHFFFAOYSA-N
XLogP1.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.86
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(dimethylamino)-3-methyl-1-[(sulfamoylamino)methyl]cyclohexane
CID 112686327
1-[(cyclohexylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 61212107
2-(cyclopropylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]ethanesulfonamide
CID 106076855
N-[[1-(dimethylamino)cyclopentyl]methyl]butane-1-sulfonamide
CID 131900223
N,N,3-trimethyl-1-[[(2-methylcyclopentyl)amino]methyl]cyclohexan-1-amine
CID 65045533
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxetan-3-amine
CID 63622541
N-[[1-(dimethylamino)cyclohexyl]methyl]butane-1-sulfonamide
CID 131944790
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]thian-4-amine
CID 61210978
2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]cyclobutane-1-carboxylic acid
CID 103243177
1-cyclopentyl-N-[[1-(dimethylamino)cyclohexyl]methyl]methanesulfonamide
CID 131891984
1-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]cyclopropane-1-carboxamide
CID 115453085
2-(tert-butylamino)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]acetamide
CID 78986830

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]ethanesulfonamide?
The IUPAC name of 2-chloro-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]ethanesulfonamide (CID 107651664) is 2-chloro-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]ethanesulfonamide?
The canonical SMILES for 2-chloro-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]ethanesulfonamide is CC1CCCC(CNS(=O)(=O)CCCl)(N(C)C)C1.
What is the InChIKey of 2-chloro-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]ethanesulfonamide?
The InChIKey is YLYBJRZFSIKTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25ClN2O2S/c1-11-5-4-6-12(9-11,15(2)3)10-14-18(16,17)8-7-13/h11,14H,4-10H2,1-3H3.
What are the key properties of 2-chloro-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]ethanesulfonamide?
2-chloro-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]ethanesulfonamide has a molecular weight of 296.86 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]ethanesulfonamide is sourced from PubChem (CID 107651664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).