cis-(1R,2S)-2-[(S)-ethylsulfinyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine

C13H22N2OS2 — CID 124739593

IUPACcis-(1R,2S)-2-[(S)-ethylsulfinyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
SMILESCC[S@](=O)[C@H]1CCCC[C@H]1NCc1csc(C)n1
InChIInChI=1S/C13H22N2OS2/c1-3-18(16)13-7-5-4-6-12(13)14-8-11-9-17-10(2)15-11/h9,12-14H,3-8H2,1-2H3/t12-,13+,18+/m1/s1
InChIKeySYKPMURMAYLKBA-VBHSOAQHSA-N
MW286.47 g/mol
LogP2.62
Rot. Bonds5

About cis-(1R,2S)-2-[(S)-ethylsulfinyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine

cis-(1R,2S)-2-[(S)-ethylsulfinyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine (PubChem CID 124739593) has the molecular formula C13H22N2OS2 and a molecular weight of 286.47 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(S)-ethylsulfinyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(S)-ethylsulfinyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
PubChem CID124739593
Molecular FormulaC13H22N2OS2
Molecular Weight286.47 g/mol
Exact Mass286.12
IUPAC Namecis-(1R,2S)-2-[(S)-ethylsulfinyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
SMILESCC[S@](=O)[C@H]1CCCC[C@H]1NCc1csc(C)n1
InChIInChI=1S/C13H22N2OS2/c1-3-18(16)13-7-5-4-6-12(13)14-8-11-9-17-10(2)15-11/h9,12-14H,3-8H2,1-2H3/t12-,13+,18+/m1/s1
InChIKeySYKPMURMAYLKBA-VBHSOAQHSA-N
XLogP2.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.47
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cis-(1R,2S)-2-[(S)-ethylsulfinyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine 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

2-[(2-methyl-1,3-thiazol-4-yl)methylamino]cyclopentan-1-ol
CID 61285787
2-cyclohexyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
CID 60961514
N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexanamine
CID 28780749
2-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine
CID 103701163
[1-[(1R,2S)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]cyclohexyl]triazol-4-yl]methanol
CID 128972573
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothian-4-amine
CID 43615105
3-methylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
CID 79002701
N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-4-amine
CID 43609962
tert-butyl N-[[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103695728
1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43215967
3-ethoxy-2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine
CID 113364966
2-ethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
CID 55031515

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(S)-ethylsulfinyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine?
The IUPAC name of cis-(1R,2S)-2-[(S)-ethylsulfinyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine (CID 124739593) is cis-(1R,2S)-2-[(S)-ethylsulfinyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for cis-(1R,2S)-2-[(S)-ethylsulfinyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for cis-(1R,2S)-2-[(S)-ethylsulfinyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine is CC[S@](=O)[C@H]1CCCC[C@H]1NCc1csc(C)n1.
What is the InChIKey of cis-(1R,2S)-2-[(S)-ethylsulfinyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine?
The InChIKey is SYKPMURMAYLKBA-VBHSOAQHSA-N. The full InChI is InChI=1S/C13H22N2OS2/c1-3-18(16)13-7-5-4-6-12(13)14-8-11-9-17-10(2)15-11/h9,12-14H,3-8H2,1-2H3/t12-,13+,18+/m1/s1.
What are the key properties of cis-(1R,2S)-2-[(S)-ethylsulfinyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine?
cis-(1R,2S)-2-[(S)-ethylsulfinyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine has a molecular weight of 286.47 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(S)-ethylsulfinyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 124739593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).