1-(2-hydroxyethyl)-3-[(1R,5S)-3,3,5-trimethylcyclohexyl]thiourea

C12H24N2OS — CID 7217549

IUPAC1-(2-hydroxyethyl)-3-[(1R,5S)-3,3,5-trimethylcyclohexyl]thiourea
SMILESC[C@@H]1C[C@@H](NC(=S)NCCO)CC(C)(C)C1
InChIInChI=1S/C12H24N2OS/c1-9-6-10(8-12(2,3)7-9)14-11(16)13-4-5-15/h9-10,15H,4-8H2,1-3H3,(H2,13,14,16)/t9-,10-/m1/s1
InChIKeyVLVUHHONVJIBBY-NXEZZACHSA-N
MW244.40 g/mol
LogP1.66
Rot. Bonds3

About 1-(2-hydroxyethyl)-3-[(1R,5S)-3,3,5-trimethylcyclohexyl]thiourea

1-(2-hydroxyethyl)-3-[(1R,5S)-3,3,5-trimethylcyclohexyl]thiourea (PubChem CID 7217549) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[(1R,5S)-3,3,5-trimethylcyclohexyl]thiourea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[(1R,5S)-3,3,5-trimethylcyclohexyl]thiourea
PubChem CID7217549
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name1-(2-hydroxyethyl)-3-[(1R,5S)-3,3,5-trimethylcyclohexyl]thiourea
SMILESC[C@@H]1C[C@@H](NC(=S)NCCO)CC(C)(C)C1
InChIInChI=1S/C12H24N2OS/c1-9-6-10(8-12(2,3)7-9)14-11(16)13-4-5-15/h9-10,15H,4-8H2,1-3H3,(H2,13,14,16)/t9-,10-/m1/s1
InChIKeyVLVUHHONVJIBBY-NXEZZACHSA-N
XLogP1.66
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-hydroxyethyl)-3-[(1R,5S)-3,3,5-trimethylcyclohexyl]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-Hydroxyethyl)-3-(3,3,5-trimethylcyclohexyl)thiourea
CID 2731008
1-(2-Hydroxyethyl)-3-(4-methylcyclohexyl)thiourea
CID 6992143
1-(2-hydroxyethyl)-3-[(1R,2R)-2-propylcyclohexyl]thiourea
CID 9856250
1-(2-hydroxyethyl)-3-[(1R,2R)-2-methylcyclohexyl]thiourea
CID 9899277
1-Cyclohexylmethyl-3-(2-hydroxy-ethyl)-thiourea
CID 9899278
1-(4-Ethylcyclohexyl)-3-(2-hydroxyethyl)thiourea
CID 9899425
1-(2-hydroxyethyl)-3-[(3S)-3-methylcyclohexyl]thiourea
CID 9920819
1-(2-hydroxyethyl)-3-[(1R,3S)-3-methylcyclohexyl]thiourea
CID 9942592
1-(2-hydroxyethyl)-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]thiourea
CID 12018504
1-[(1R,2R)-2-ethylcyclohexyl]-3-(2-hydroxyethyl)thiourea
CID 12018508
1-(2-hydroxyethyl)-3-[(1R,3R)-3-methylcyclohexyl]thiourea
CID 12018509
1-(2-Hydroxyethyl)-3-(2-methylcyclohexyl)thiourea
CID 12018510

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[(1R,5S)-3,3,5-trimethylcyclohexyl]thiourea?
The IUPAC name of 1-(2-hydroxyethyl)-3-[(1R,5S)-3,3,5-trimethylcyclohexyl]thiourea (CID 7217549) is 1-(2-hydroxyethyl)-3-[(1R,5S)-3,3,5-trimethylcyclohexyl]thiourea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[(1R,5S)-3,3,5-trimethylcyclohexyl]thiourea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[(1R,5S)-3,3,5-trimethylcyclohexyl]thiourea is C[C@@H]1C[C@@H](NC(=S)NCCO)CC(C)(C)C1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[(1R,5S)-3,3,5-trimethylcyclohexyl]thiourea?
The InChIKey is VLVUHHONVJIBBY-NXEZZACHSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-9-6-10(8-12(2,3)7-9)14-11(16)13-4-5-15/h9-10,15H,4-8H2,1-3H3,(H2,13,14,16)/t9-,10-/m1/s1.
What are the key properties of 1-(2-hydroxyethyl)-3-[(1R,5S)-3,3,5-trimethylcyclohexyl]thiourea?
1-(2-hydroxyethyl)-3-[(1R,5S)-3,3,5-trimethylcyclohexyl]thiourea has a molecular weight of 244.40 g/mol, XLogP of 1.66, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[(1R,5S)-3,3,5-trimethylcyclohexyl]thiourea is sourced from PubChem (CID 7217549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).