1-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methylcyclohexylidene)amino]thiourea

C15H27N3S — CID 9122105

IUPAC1-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methylcyclohexylidene)amino]thiourea
SMILESCC1CCC(=NNC(=S)N[C@@H]2CCCC[C@H]2C)CC1
InChIInChI=1S/C15H27N3S/c1-11-7-9-13(10-8-11)17-18-15(19)16-14-6-4-3-5-12(14)2/h11-12,14H,3-10H2,1-2H3,(H2,16,18,19)/b17-13-/t11?,12-,14-/m1/s1
InChIKeyALKMHFDZBQGHOV-IHXPMPHGSA-N
MW281.47 g/mol
LogP3.60
Rot. Bonds2

About 1-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methylcyclohexylidene)amino]thiourea

1-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methylcyclohexylidene)amino]thiourea (PubChem CID 9122105) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 1-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methylcyclohexylidene)amino]thiourea.

Molecular Properties

Compound Name1-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methylcyclohexylidene)amino]thiourea
PubChem CID9122105
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name1-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methylcyclohexylidene)amino]thiourea
SMILESCC1CCC(=NNC(=S)N[C@@H]2CCCC[C@H]2C)CC1
InChIInChI=1S/C15H27N3S/c1-11-7-9-13(10-8-11)17-18-15(19)16-14-6-4-3-5-12(14)2/h11-12,14H,3-10H2,1-2H3,(H2,16,18,19)/b17-13-/t11?,12-,14-/m1/s1
InChIKeyALKMHFDZBQGHOV-IHXPMPHGSA-N
XLogP3.60
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.60
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'}

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Related Compounds

1-(cyclopentylideneamino)-3-[(1S,2R)-2-methylcyclohexyl]thiourea
CID 9122119
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-[[(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-(4-methoxyphenyl)-3-[(4-methylcyclohexylidene)amino]thiourea
CID 7934003
1-[(1S,2R)-2-methylcyclohexyl]-3-[(Z)-1-(4-nitrophenyl)ethylideneamino]thiourea
CID 9122115
1-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 135816185

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methylcyclohexylidene)amino]thiourea?
The IUPAC name of 1-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methylcyclohexylidene)amino]thiourea (CID 9122105) is 1-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methylcyclohexylidene)amino]thiourea.
What is the SMILES notation for 1-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methylcyclohexylidene)amino]thiourea?
The canonical SMILES for 1-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methylcyclohexylidene)amino]thiourea is CC1CCC(=NNC(=S)N[C@@H]2CCCC[C@H]2C)CC1.
What is the InChIKey of 1-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methylcyclohexylidene)amino]thiourea?
The InChIKey is ALKMHFDZBQGHOV-IHXPMPHGSA-N. The full InChI is InChI=1S/C15H27N3S/c1-11-7-9-13(10-8-11)17-18-15(19)16-14-6-4-3-5-12(14)2/h11-12,14H,3-10H2,1-2H3,(H2,16,18,19)/b17-13-/t11?,12-,14-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methylcyclohexylidene)amino]thiourea?
1-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methylcyclohexylidene)amino]thiourea has a molecular weight of 281.47 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methylcyclohexylidene)amino]thiourea is sourced from PubChem (CID 9122105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).