cis-(1S,2R)-2-ethylsulfanyl-N-(2-imidazol-1-ylethyl)cyclohexan-1-amine

C13H23N3S — CID 99829754

IUPACcis-(1S,2R)-2-ethylsulfanyl-N-(2-imidazol-1-ylethyl)cyclohexan-1-amine
SMILESCCS[C@@H]1CCCC[C@@H]1NCCn1ccnc1
InChIInChI=1S/C13H23N3S/c1-2-17-13-6-4-3-5-12(13)15-8-10-16-9-7-14-11-16/h7,9,11-13,15H,2-6,8,10H2,1H3/t12-,13+/m0/s1
InChIKeyWUQVNBKGUMLCDU-QWHCGFSZSA-N
MW253.41 g/mol
LogP2.54
Rot. Bonds6

About cis-(1S,2R)-2-ethylsulfanyl-N-(2-imidazol-1-ylethyl)cyclohexan-1-amine

cis-(1S,2R)-2-ethylsulfanyl-N-(2-imidazol-1-ylethyl)cyclohexan-1-amine (PubChem CID 99829754) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is cis-(1S,2R)-2-ethylsulfanyl-N-(2-imidazol-1-ylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-2-ethylsulfanyl-N-(2-imidazol-1-ylethyl)cyclohexan-1-amine
PubChem CID99829754
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Namecis-(1S,2R)-2-ethylsulfanyl-N-(2-imidazol-1-ylethyl)cyclohexan-1-amine
SMILESCCS[C@@H]1CCCC[C@@H]1NCCn1ccnc1
InChIInChI=1S/C13H23N3S/c1-2-17-13-6-4-3-5-12(13)15-8-10-16-9-7-14-11-16/h7,9,11-13,15H,2-6,8,10H2,1H3/t12-,13+/m0/s1
InChIKeyWUQVNBKGUMLCDU-QWHCGFSZSA-N
XLogP2.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cis-(1S,2R)-2-ethylsulfanyl-N-(2-imidazol-1-ylethyl)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

cis-(1S,2R)-2-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)cyclopentan-1-amine
CID 124681069
N-(2-imidazol-1-ylethyl)-2-(4-methylphenyl)sulfonylcyclohexan-1-amine
CID 86790028
N-(2-imidazol-1-ylethyl)cyclohex-2-en-1-amine
CID 107906738
1-ethyl-N-(2-imidazol-1-ylethyl)piperidin-4-amine
CID 60664484
3-[[(1R,2S)-2-ethylsulfanylcyclohexyl]amino]propan-1-ol
CID 99829767
N-(3-imidazol-1-ylpropyl)-2-methylsulfonylcyclopentan-1-amine
CID 65046461
cis-(1R,2S)-N-(3-imidazol-1-ylpropyl)-2-pyrazol-1-ylcyclohexan-1-amine
CID 99622517
N-(2-imidazol-1-ylethyl)-2-(1-methylpiperidin-2-yl)ethanamine
CID 55024503
N-(2-imidazol-1-ylethyl)oxetan-3-amine
CID 63623289
4-tert-butyl-N-(2-imidazol-1-ylethyl)cycloheptan-1-amine
CID 65089447
N-(3-imidazol-1-ylpropyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 61494653
1-cyclopentyl-3-(2-imidazol-1-ylethyl)-2-methylguanidine
CID 110991929

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-ethylsulfanyl-N-(2-imidazol-1-ylethyl)cyclohexan-1-amine?
The IUPAC name of cis-(1S,2R)-2-ethylsulfanyl-N-(2-imidazol-1-ylethyl)cyclohexan-1-amine (CID 99829754) is cis-(1S,2R)-2-ethylsulfanyl-N-(2-imidazol-1-ylethyl)cyclohexan-1-amine.
What is the SMILES notation for cis-(1S,2R)-2-ethylsulfanyl-N-(2-imidazol-1-ylethyl)cyclohexan-1-amine?
The canonical SMILES for cis-(1S,2R)-2-ethylsulfanyl-N-(2-imidazol-1-ylethyl)cyclohexan-1-amine is CCS[C@@H]1CCCC[C@@H]1NCCn1ccnc1.
What is the InChIKey of cis-(1S,2R)-2-ethylsulfanyl-N-(2-imidazol-1-ylethyl)cyclohexan-1-amine?
The InChIKey is WUQVNBKGUMLCDU-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H23N3S/c1-2-17-13-6-4-3-5-12(13)15-8-10-16-9-7-14-11-16/h7,9,11-13,15H,2-6,8,10H2,1H3/t12-,13+/m0/s1.
What are the key properties of cis-(1S,2R)-2-ethylsulfanyl-N-(2-imidazol-1-ylethyl)cyclohexan-1-amine?
cis-(1S,2R)-2-ethylsulfanyl-N-(2-imidazol-1-ylethyl)cyclohexan-1-amine has a molecular weight of 253.41 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-ethylsulfanyl-N-(2-imidazol-1-ylethyl)cyclohexan-1-amine is sourced from PubChem (CID 99829754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).