1-(cyclohexylmethyl)-3-(2-phenylethyl)thiourea

C16H24N2S — CID 23821003

IUPAC1-(cyclohexylmethyl)-3-(2-phenylethyl)thiourea
SMILESS=C(NCCc1ccccc1)NCC1CCCCC1
InChIInChI=1S/C16H24N2S/c19-16(18-13-15-9-5-2-6-10-15)17-12-11-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13H2,(H2,17,18,19)
InChIKeyXOUSPPANYOIHKN-UHFFFAOYSA-N
MW276.45 g/mol
LogP3.27
Rot. Bonds5

About 1-(cyclohexylmethyl)-3-(2-phenylethyl)thiourea

1-(cyclohexylmethyl)-3-(2-phenylethyl)thiourea (PubChem CID 23821003) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-(2-phenylethyl)thiourea.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-(2-phenylethyl)thiourea
PubChem CID23821003
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC Name1-(cyclohexylmethyl)-3-(2-phenylethyl)thiourea
SMILESS=C(NCCc1ccccc1)NCC1CCCCC1
InChIInChI=1S/C16H24N2S/c19-16(18-13-15-9-5-2-6-10-15)17-12-11-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13H2,(H2,17,18,19)
InChIKeyXOUSPPANYOIHKN-UHFFFAOYSA-N
XLogP3.27
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 53.27
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-cyclododecyl-3-(2-phenylethyl)thiourea
CID 17298455
1-(2-hydroxyethyl)-3-(2-phenylethyl)thiourea
CID 2166227
2-(cyclohexylamino)-N-(2-phenylethyl)-2-sulfanylideneacetamide
CID 2977537
N-(cycloheptylmethyl)-2-phenylacetamide
CID 54313529
1-(3-hydroxypropyl)-3-(2-phenylethyl)thiourea
CID 2171228
2-phenylethyl N-(cyclopentylmethyl)carbamate
CID 57081280
N'-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)oxamide
CID 16886539
2-cyclopentyl-N-(2-phenylethyl)ethanamine
CID 54856926
2-phenylethylcyclooctane
CID 54073487
1-(2-phenylethyl)-3-[2-(2-sulfanylphenyl)ethyl]thiourea
CID 140842952
(2S)-2-amino-N-(cyclohexylmethyl)-3-phenylpropanamide;hydrochloride
CID 119262630
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-phenylacetate
CID 55319435

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-(2-phenylethyl)thiourea?
The IUPAC name of 1-(cyclohexylmethyl)-3-(2-phenylethyl)thiourea (CID 23821003) is 1-(cyclohexylmethyl)-3-(2-phenylethyl)thiourea.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-(2-phenylethyl)thiourea?
The canonical SMILES for 1-(cyclohexylmethyl)-3-(2-phenylethyl)thiourea is S=C(NCCc1ccccc1)NCC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)-3-(2-phenylethyl)thiourea?
The InChIKey is XOUSPPANYOIHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S/c19-16(18-13-15-9-5-2-6-10-15)17-12-11-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13H2,(H2,17,18,19).
What are the key properties of 1-(cyclohexylmethyl)-3-(2-phenylethyl)thiourea?
1-(cyclohexylmethyl)-3-(2-phenylethyl)thiourea has a molecular weight of 276.45 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-(2-phenylethyl)thiourea is sourced from PubChem (CID 23821003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).