N-[4-[(dimethylamino)methyl]cyclohexyl]-2-methylsulfanylbenzenesulfonamide

C16H26N2O2S2 — CID 91661756

IUPACN-[4-[(dimethylamino)methyl]cyclohexyl]-2-methylsulfanylbenzenesulfonamide
SMILESCSc1ccccc1S(=O)(=O)NC1CCC(CN(C)C)CC1
InChIInChI=1S/C16H26N2O2S2/c1-18(2)12-13-8-10-14(11-9-13)17-22(19,20)16-7-5-4-6-15(16)21-3/h4-7,13-14,17H,8-12H2,1-3H3
InChIKeyDYCLHSFZDBEVBP-UHFFFAOYSA-N
MW342.53 g/mol
LogP2.81
Rot. Bonds6

About N-[4-[(dimethylamino)methyl]cyclohexyl]-2-methylsulfanylbenzenesulfonamide

N-[4-[(dimethylamino)methyl]cyclohexyl]-2-methylsulfanylbenzenesulfonamide (PubChem CID 91661756) has the molecular formula C16H26N2O2S2 and a molecular weight of 342.53 g/mol. Its IUPAC name is N-[4-[(dimethylamino)methyl]cyclohexyl]-2-methylsulfanylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(dimethylamino)methyl]cyclohexyl]-2-methylsulfanylbenzenesulfonamide
PubChem CID91661756
Molecular FormulaC16H26N2O2S2
Molecular Weight342.53 g/mol
Exact Mass342.14
IUPAC NameN-[4-[(dimethylamino)methyl]cyclohexyl]-2-methylsulfanylbenzenesulfonamide
SMILESCSc1ccccc1S(=O)(=O)NC1CCC(CN(C)C)CC1
InChIInChI=1S/C16H26N2O2S2/c1-18(2)12-13-8-10-14(11-9-13)17-22(19,20)16-7-5-4-6-15(16)21-3/h4-7,13-14,17H,8-12H2,1-3H3
InChIKeyDYCLHSFZDBEVBP-UHFFFAOYSA-N
XLogP2.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[(dimethylamino)methyl]cyclohexyl]-2-methylsulfanylbenzenesulfonamide 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-methylpiperidin-4-yl)-2-methylsulfanylbenzenesulfonamide
CID 120713766
N-(2-amino-2-cyclopropylethyl)-2-methylsulfanylbenzenesulfonamide
CID 120713278
N-[2-(aminomethyl)cyclopentyl]-2-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120711069
N-cyclopropyl-2-(2-hydroxypropylamino)benzenesulfonamide
CID 43500228
2-fluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 43653542
4-(2,4-difluorophenyl)-N-[4-[(dimethylamino)methyl]cyclohexyl]benzenesulfonamide
CID 45279224
N-(4-aminocyclohexyl)-2-ethylbenzenesulfonamide
CID 120708205
2-(methylamino)-N-(4-propylcyclohexyl)benzenesulfonamide
CID 62156688
N-cyclopropyl-2-(2,3,3-trimethylbutylamino)benzenesulfonamide
CID 83142432
2-(3-chloropentan-2-yl)-N-cyclopropylbenzenesulfonamide
CID 55220897
N-cyclopropyl-2-(cyclopropylamino)benzenesulfonamide
CID 43454646
2-[(4-ethylcyclohexyl)sulfamoyl]benzenecarbothioamide
CID 61470175

Frequently Asked Questions

What is the IUPAC name of N-[4-[(dimethylamino)methyl]cyclohexyl]-2-methylsulfanylbenzenesulfonamide?
The IUPAC name of N-[4-[(dimethylamino)methyl]cyclohexyl]-2-methylsulfanylbenzenesulfonamide (CID 91661756) is N-[4-[(dimethylamino)methyl]cyclohexyl]-2-methylsulfanylbenzenesulfonamide.
What is the SMILES notation for N-[4-[(dimethylamino)methyl]cyclohexyl]-2-methylsulfanylbenzenesulfonamide?
The canonical SMILES for N-[4-[(dimethylamino)methyl]cyclohexyl]-2-methylsulfanylbenzenesulfonamide is CSc1ccccc1S(=O)(=O)NC1CCC(CN(C)C)CC1.
What is the InChIKey of N-[4-[(dimethylamino)methyl]cyclohexyl]-2-methylsulfanylbenzenesulfonamide?
The InChIKey is DYCLHSFZDBEVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S2/c1-18(2)12-13-8-10-14(11-9-13)17-22(19,20)16-7-5-4-6-15(16)21-3/h4-7,13-14,17H,8-12H2,1-3H3.
What are the key properties of N-[4-[(dimethylamino)methyl]cyclohexyl]-2-methylsulfanylbenzenesulfonamide?
N-[4-[(dimethylamino)methyl]cyclohexyl]-2-methylsulfanylbenzenesulfonamide has a molecular weight of 342.53 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(dimethylamino)methyl]cyclohexyl]-2-methylsulfanylbenzenesulfonamide is sourced from PubChem (CID 91661756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).