(3-methylsulfonylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methanamine

C12H20N2O2S2 — CID 105168772

IUPAC(3-methylsulfonylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCc1nc(C(N)C2CCCC(S(C)(=O)=O)C2)cs1
InChIInChI=1S/C12H20N2O2S2/c1-8-14-11(7-17-8)12(13)9-4-3-5-10(6-9)18(2,15)16/h7,9-10,12H,3-6,13H2,1-2H3
InChIKeyNLMPFSQWGRMMBK-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.05
Rot. Bonds3

About (3-methylsulfonylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methanamine

(3-methylsulfonylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methanamine (PubChem CID 105168772) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is (3-methylsulfonylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound Name(3-methylsulfonylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
PubChem CID105168772
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC Name(3-methylsulfonylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCc1nc(C(N)C2CCCC(S(C)(=O)=O)C2)cs1
InChIInChI=1S/C12H20N2O2S2/c1-8-14-11(7-17-8)12(13)9-4-3-5-10(6-9)18(2,15)16/h7,9-10,12H,3-6,13H2,1-2H3
InChIKeyNLMPFSQWGRMMBK-UHFFFAOYSA-N
XLogP2.05
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-methylsulfonylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methanamine 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

1-(2-ethyl-1,3-thiazol-4-yl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine
CID 86789760
(4S)-2-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-4-methyl-1,2-thiazolidine 1,1-dioxide
CID 164642654
(R)-2-methyl-N-[[4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]propane-2-sulfinamide
CID 166045460
Tert-butyl-oxido-[[[4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]amino]sulfanium
CID 175819524
2-(3,3-difluorocyclohexyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 114225825
N-[1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]propane-1-sulfonamide
CID 51116249
N-(2-{1-[(4-Isopropyl-1,3-thiazol-2-YL)methyl]piperidin-3-YL}ethyl)methanesulfonamide
CID 56749248
4-(2-Methylthiazol-4-yl)cyclohexylamine
CID 59305817
3-[4-(2-Cyclohexylethyl)-1,3-thiazol-2-yl]propan-1-amine
CID 71668150
1-(4-Cyclohexylthiazol-2-yl)-N-methylmethanamine
CID 3368399
1-(4-cyclohexyl-1,3-thiazol-2-yl)-N-methylethanamine
CID 3500809
2-(4-Cyclohexyl-1,3-thiazol-2-yl)ethan-1-amine
CID 4322802

Frequently Asked Questions

What is the IUPAC name of (3-methylsulfonylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methanamine?
The IUPAC name of (3-methylsulfonylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methanamine (CID 105168772) is (3-methylsulfonylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for (3-methylsulfonylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for (3-methylsulfonylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methanamine is Cc1nc(C(N)C2CCCC(S(C)(=O)=O)C2)cs1.
What is the InChIKey of (3-methylsulfonylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methanamine?
The InChIKey is NLMPFSQWGRMMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-8-14-11(7-17-8)12(13)9-4-3-5-10(6-9)18(2,15)16/h7,9-10,12H,3-6,13H2,1-2H3.
What are the key properties of (3-methylsulfonylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methanamine?
(3-methylsulfonylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methanamine has a molecular weight of 288.44 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylsulfonylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 105168772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).