1-cyclohexyl-3-[(1S)-1-phenylethyl]thiourea

C15H22N2S — CID 724020

IUPAC1-cyclohexyl-3-[(1S)-1-phenylethyl]thiourea
SMILESC[C@H](NC(=S)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C15H22N2S/c1-12(13-8-4-2-5-9-13)16-15(18)17-14-10-6-3-7-11-14/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3,(H2,16,17,18)/t12-/m0/s1
InChIKeyHENUXILFJOCRKP-LBPRGKRZSA-N
MW262.42 g/mol
LogP3.54
Rot. Bonds3

About 1-cyclohexyl-3-[(1S)-1-phenylethyl]thiourea

1-cyclohexyl-3-[(1S)-1-phenylethyl]thiourea (PubChem CID 724020) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(1S)-1-phenylethyl]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(1S)-1-phenylethyl]thiourea
PubChem CID724020
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC Name1-cyclohexyl-3-[(1S)-1-phenylethyl]thiourea
SMILESC[C@H](NC(=S)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C15H22N2S/c1-12(13-8-4-2-5-9-13)16-15(18)17-14-10-6-3-7-11-14/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3,(H2,16,17,18)/t12-/m0/s1
InChIKeyHENUXILFJOCRKP-LBPRGKRZSA-N
XLogP3.54
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-3-(1-phenylethyl)thiourea
CID 2788079
1-cyclohexyl-3-(1-phenylpropyl)thiourea
CID 17281987
1-cyclohexyl-3-[(1R)-1-phenylethyl]urea
CID 840473
1-cyclopentyl-3-[1-(3,4-dimethylphenyl)ethyl]thiourea
CID 19675012
1-cyclohexyl-3-[(1S)-1-naphthalen-1-ylethyl]thiourea
CID 8724805
1,3-bis[(1R)-1-phenylethyl]thiourea
CID 11818469
1-cyclopentyl-3-[1-(1H-pyrazol-4-yl)ethyl]thiourea
CID 106217389
N-cyclododecyl-N'-(1-phenylethyl)butanediamide
CID 4025526
1-(1-phenylethyl)-3-propan-2-ylthiourea
CID 19649780
N-(1-phenylethyl)cyclododecanamine
CID 60662638
1-cyclopropyl-3-[1-(4-ethylphenyl)ethyl]thiourea
CID 19675096
1-[1-(4-butan-2-ylphenyl)propyl]-3-cyclohexylthiourea
CID 19675584

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(1S)-1-phenylethyl]thiourea?
The IUPAC name of 1-cyclohexyl-3-[(1S)-1-phenylethyl]thiourea (CID 724020) is 1-cyclohexyl-3-[(1S)-1-phenylethyl]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[(1S)-1-phenylethyl]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[(1S)-1-phenylethyl]thiourea is C[C@H](NC(=S)NC1CCCCC1)c1ccccc1.
What is the InChIKey of 1-cyclohexyl-3-[(1S)-1-phenylethyl]thiourea?
The InChIKey is HENUXILFJOCRKP-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N2S/c1-12(13-8-4-2-5-9-13)16-15(18)17-14-10-6-3-7-11-14/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3,(H2,16,17,18)/t12-/m0/s1.
What are the key properties of 1-cyclohexyl-3-[(1S)-1-phenylethyl]thiourea?
1-cyclohexyl-3-[(1S)-1-phenylethyl]thiourea has a molecular weight of 262.42 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(1S)-1-phenylethyl]thiourea is sourced from PubChem (CID 724020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).