1-[(1S,2S)-2-methylcyclohexyl]-3-(2-methyl-2-morpholin-4-ylpropyl)thiourea

C16H31N3OS — CID 26536535

IUPAC1-[(1S,2S)-2-methylcyclohexyl]-3-(2-methyl-2-morpholin-4-ylpropyl)thiourea
SMILESC[C@H]1CCCC[C@@H]1NC(=S)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C16H31N3OS/c1-13-6-4-5-7-14(13)18-15(21)17-12-16(2,3)19-8-10-20-11-9-19/h13-14H,4-12H2,1-3H3,(H2,17,18,21)/t13-,14-/m0/s1
InChIKeyGXZAXMDENYFWGV-KBPBESRZSA-N
MW313.51 g/mol
LogP2.14
Rot. Bonds4

About 1-[(1S,2S)-2-methylcyclohexyl]-3-(2-methyl-2-morpholin-4-ylpropyl)thiourea

1-[(1S,2S)-2-methylcyclohexyl]-3-(2-methyl-2-morpholin-4-ylpropyl)thiourea (PubChem CID 26536535) has the molecular formula C16H31N3OS and a molecular weight of 313.51 g/mol. Its IUPAC name is 1-[(1S,2S)-2-methylcyclohexyl]-3-(2-methyl-2-morpholin-4-ylpropyl)thiourea.

Molecular Properties

Compound Name1-[(1S,2S)-2-methylcyclohexyl]-3-(2-methyl-2-morpholin-4-ylpropyl)thiourea
PubChem CID26536535
Molecular FormulaC16H31N3OS
Molecular Weight313.51 g/mol
Exact Mass313.22
IUPAC Name1-[(1S,2S)-2-methylcyclohexyl]-3-(2-methyl-2-morpholin-4-ylpropyl)thiourea
SMILESC[C@H]1CCCC[C@@H]1NC(=S)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C16H31N3OS/c1-13-6-4-5-7-14(13)18-15(21)17-12-16(2,3)19-8-10-20-11-9-19/h13-14H,4-12H2,1-3H3,(H2,17,18,21)/t13-,14-/m0/s1
InChIKeyGXZAXMDENYFWGV-KBPBESRZSA-N
XLogP2.14
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.51
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(1S,2S)-2-methylcyclohexyl]-3-(2-methyl-2-morpholin-4-ylpropyl)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-bicyclo[2.2.1]heptanyl)-3-(2-methyl-2-morpholin-4-ylpropyl)thiourea
CID 18282847
2,5-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)cyclohexan-1-amine
CID 64773736
1-[(1S,2R)-2-methylcyclohexyl]-3-(4-morpholin-4-ylphenyl)thiourea
CID 8625596
2-ethyl-N-(2-methyl-2-morpholin-4-ylpropyl)cyclopentan-1-amine
CID 113259806
1-(2-methyl-2-morpholin-4-ylpropyl)-3-(thiophen-2-ylmethyl)thiourea
CID 46800506
(E)-3-cyclohexyl-2-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)prop-2-enamide
CID 100657139
1-(2-methyl-2-morpholin-4-ylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 55597433
1-(2,4-dimorpholin-4-ylphenyl)-3-[(1R,2R)-2-methylcyclohexyl]thiourea
CID 8654348
2-methyl-1-[(4-methylcyclohexyl)methyl]-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111313640
N-(2-methyl-2-morpholin-4-ylpropyl)-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxamide
CID 86999608
N-(2-methylcyclopentyl)morpholine-4-carboxamide
CID 115613523
3-[(2-methyl-2-morpholin-4-ylpropyl)amino]-3-oxopropanoic acid
CID 55049600

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-methylcyclohexyl]-3-(2-methyl-2-morpholin-4-ylpropyl)thiourea?
The IUPAC name of 1-[(1S,2S)-2-methylcyclohexyl]-3-(2-methyl-2-morpholin-4-ylpropyl)thiourea (CID 26536535) is 1-[(1S,2S)-2-methylcyclohexyl]-3-(2-methyl-2-morpholin-4-ylpropyl)thiourea.
What is the SMILES notation for 1-[(1S,2S)-2-methylcyclohexyl]-3-(2-methyl-2-morpholin-4-ylpropyl)thiourea?
The canonical SMILES for 1-[(1S,2S)-2-methylcyclohexyl]-3-(2-methyl-2-morpholin-4-ylpropyl)thiourea is C[C@H]1CCCC[C@@H]1NC(=S)NCC(C)(C)N1CCOCC1.
What is the InChIKey of 1-[(1S,2S)-2-methylcyclohexyl]-3-(2-methyl-2-morpholin-4-ylpropyl)thiourea?
The InChIKey is GXZAXMDENYFWGV-KBPBESRZSA-N. The full InChI is InChI=1S/C16H31N3OS/c1-13-6-4-5-7-14(13)18-15(21)17-12-16(2,3)19-8-10-20-11-9-19/h13-14H,4-12H2,1-3H3,(H2,17,18,21)/t13-,14-/m0/s1.
What are the key properties of 1-[(1S,2S)-2-methylcyclohexyl]-3-(2-methyl-2-morpholin-4-ylpropyl)thiourea?
1-[(1S,2S)-2-methylcyclohexyl]-3-(2-methyl-2-morpholin-4-ylpropyl)thiourea has a molecular weight of 313.51 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-methylcyclohexyl]-3-(2-methyl-2-morpholin-4-ylpropyl)thiourea is sourced from PubChem (CID 26536535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).