1-(cyclopentylideneamino)-3-[(1S,2R)-2-methylcyclohexyl]thiourea

C13H23N3S — CID 9122119

IUPAC1-(cyclopentylideneamino)-3-[(1S,2R)-2-methylcyclohexyl]thiourea
SMILESC[C@@H]1CCCC[C@@H]1NC(=S)NN=C1CCCC1
InChIInChI=1S/C13H23N3S/c1-10-6-2-5-9-12(10)14-13(17)16-15-11-7-3-4-8-11/h10,12H,2-9H2,1H3,(H2,14,16,17)/t10-,12+/m1/s1
InChIKeyYMVYCWYGAHVIHJ-PWSUYJOCSA-N
MW253.41 g/mol
LogP2.96
Rot. Bonds2

About 1-(cyclopentylideneamino)-3-[(1S,2R)-2-methylcyclohexyl]thiourea

1-(cyclopentylideneamino)-3-[(1S,2R)-2-methylcyclohexyl]thiourea (PubChem CID 9122119) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-(cyclopentylideneamino)-3-[(1S,2R)-2-methylcyclohexyl]thiourea.

Molecular Properties

Compound Name1-(cyclopentylideneamino)-3-[(1S,2R)-2-methylcyclohexyl]thiourea
PubChem CID9122119
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name1-(cyclopentylideneamino)-3-[(1S,2R)-2-methylcyclohexyl]thiourea
SMILESC[C@@H]1CCCC[C@@H]1NC(=S)NN=C1CCCC1
InChIInChI=1S/C13H23N3S/c1-10-6-2-5-9-12(10)14-13(17)16-15-11-7-3-4-8-11/h10,12H,2-9H2,1H3,(H2,14,16,17)/t10-,12+/m1/s1
InChIKeyYMVYCWYGAHVIHJ-PWSUYJOCSA-N
XLogP2.96
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-(cyclopentylideneamino)-3-[(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-(cyclohexylideneamino)-3-[(1S,2S)-2-methylcyclohexyl]thiourea
CID 9122148
1-(cycloheptylideneamino)-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 9122110
1-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methylcyclohexylidene)amino]thiourea
CID 9122105
1-[(1R,2R)-2-methylcyclohexyl]-3-[[(2S)-2-methylcyclohexylidene]amino]thiourea
CID 11936748
1-cyclohexyl-3-(cyclooctylideneamino)thiourea
CID 7933892
1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(cyclopentylideneamino)thiourea
CID 18389130
1-(cyclobutylideneamino)-3-cyclopropylthiourea
CID 131041438
1-cycloheptyl-3-(2-methylcyclohexyl)thiourea
CID 43384781
1-[(1R,2R)-2-methylcyclohexyl]-3-[(Z)-(4-methylphenyl)methylideneamino]thiourea
CID 9122245
1-[(1R,2S)-2-methylcyclohexyl]-3-[(Z)-(3-methylphenyl)methylideneamino]thiourea
CID 9122279
1-[(1R,2R)-2-methylcyclohexyl]-3-[(Z)-(3-methylphenyl)methylideneamino]thiourea
CID 9122277
1-[(1S,2S)-2-methylcyclohexyl]-3-[(Z)-thiophen-3-ylmethylideneamino]thiourea
CID 9122288

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylideneamino)-3-[(1S,2R)-2-methylcyclohexyl]thiourea?
The IUPAC name of 1-(cyclopentylideneamino)-3-[(1S,2R)-2-methylcyclohexyl]thiourea (CID 9122119) is 1-(cyclopentylideneamino)-3-[(1S,2R)-2-methylcyclohexyl]thiourea.
What is the SMILES notation for 1-(cyclopentylideneamino)-3-[(1S,2R)-2-methylcyclohexyl]thiourea?
The canonical SMILES for 1-(cyclopentylideneamino)-3-[(1S,2R)-2-methylcyclohexyl]thiourea is C[C@@H]1CCCC[C@@H]1NC(=S)NN=C1CCCC1.
What is the InChIKey of 1-(cyclopentylideneamino)-3-[(1S,2R)-2-methylcyclohexyl]thiourea?
The InChIKey is YMVYCWYGAHVIHJ-PWSUYJOCSA-N. The full InChI is InChI=1S/C13H23N3S/c1-10-6-2-5-9-12(10)14-13(17)16-15-11-7-3-4-8-11/h10,12H,2-9H2,1H3,(H2,14,16,17)/t10-,12+/m1/s1.
What are the key properties of 1-(cyclopentylideneamino)-3-[(1S,2R)-2-methylcyclohexyl]thiourea?
1-(cyclopentylideneamino)-3-[(1S,2R)-2-methylcyclohexyl]thiourea has a molecular weight of 253.41 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylideneamino)-3-[(1S,2R)-2-methylcyclohexyl]thiourea is sourced from PubChem (CID 9122119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).