[(1S,2R)-2-methylcyclohexyl]thiourea

C8H16N2S — CID 93021744

IUPAC[(1S,2R)-2-methylcyclohexyl]thiourea
SMILESC[C@@H]1CCCC[C@@H]1NC(N)=S
InChIInChI=1S/C8H16N2S/c1-6-4-2-3-5-7(6)10-8(9)11/h6-7H,2-5H2,1H3,(H3,9,10,11)/t6-,7+/m1/s1
InChIKeyCAOMLGGTPPGEFR-RQJHMYQMSA-N
MW172.30 g/mol
LogP1.40
Rot. Bonds1

About [(1S,2R)-2-methylcyclohexyl]thiourea

[(1S,2R)-2-methylcyclohexyl]thiourea (PubChem CID 93021744) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is [(1S,2R)-2-methylcyclohexyl]thiourea.

Molecular Properties

Compound Name[(1S,2R)-2-methylcyclohexyl]thiourea
PubChem CID93021744
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name[(1S,2R)-2-methylcyclohexyl]thiourea
SMILESC[C@@H]1CCCC[C@@H]1NC(N)=S
InChIInChI=1S/C8H16N2S/c1-6-4-2-3-5-7(6)10-8(9)11/h6-7H,2-5H2,1H3,(H3,9,10,11)/t6-,7+/m1/s1
InChIKeyCAOMLGGTPPGEFR-RQJHMYQMSA-N
XLogP1.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(1S,2R)-2-methylcyclohexyl]thiourea 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-(Dimethylamino)ethyl]-3-(4-methylcyclohexyl)thiourea
CID 2452878
N-(2-Methylcyclohexyl)hydrazinecarbothioamide
CID 3745753
N,N-dimethyl-N'-(3,3,5-trimethylcyclohexyl)thiourea
CID 2731053
(6-Methylheptan-2-yl)thiourea
CID 3868600
1-Butyl-3-(2,3-dimethylcyclohexyl)thiourea
CID 5140601
1-cyclopropyl-3-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]thiourea
CID 58004798
1-ethyl-3-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]thiourea
CID 58004824
1-Cyclopropyl-3-[2-(trifluoromethyl)cyclohexyl]thiourea
CID 71898520
1-cyclopropyl-3-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]thiourea
CID 97005331
1-cyclopropyl-3-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]thiourea
CID 97005332
1-cyclopropyl-3-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]thiourea
CID 97005333
1-cyclopropyl-3-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]thiourea
CID 97005334

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-methylcyclohexyl]thiourea?
The IUPAC name of [(1S,2R)-2-methylcyclohexyl]thiourea (CID 93021744) is [(1S,2R)-2-methylcyclohexyl]thiourea.
What is the SMILES notation for [(1S,2R)-2-methylcyclohexyl]thiourea?
The canonical SMILES for [(1S,2R)-2-methylcyclohexyl]thiourea is C[C@@H]1CCCC[C@@H]1NC(N)=S.
What is the InChIKey of [(1S,2R)-2-methylcyclohexyl]thiourea?
The InChIKey is CAOMLGGTPPGEFR-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H16N2S/c1-6-4-2-3-5-7(6)10-8(9)11/h6-7H,2-5H2,1H3,(H3,9,10,11)/t6-,7+/m1/s1.
What are the key properties of [(1S,2R)-2-methylcyclohexyl]thiourea?
[(1S,2R)-2-methylcyclohexyl]thiourea has a molecular weight of 172.30 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-methylcyclohexyl]thiourea is sourced from PubChem (CID 93021744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).