1-benzyl-3-cyclohexyl-1-ethylthiourea

C16H24N2S — CID 5098448

IUPAC1-benzyl-3-cyclohexyl-1-ethylthiourea
SMILESCCN(Cc1ccccc1)C(=S)NC1CCCCC1
InChIInChI=1S/C16H24N2S/c1-2-18(13-14-9-5-3-6-10-14)16(19)17-15-11-7-4-8-12-15/h3,5-6,9-10,15H,2,4,7-8,11-13H2,1H3,(H,17,19)
InChIKeyJWUCNDSORVNKNA-UHFFFAOYSA-N
MW276.45 g/mol
LogP3.72
Rot. Bonds4

About 1-benzyl-3-cyclohexyl-1-ethylthiourea

1-benzyl-3-cyclohexyl-1-ethylthiourea (PubChem CID 5098448) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 1-benzyl-3-cyclohexyl-1-ethylthiourea.

Molecular Properties

Compound Name1-benzyl-3-cyclohexyl-1-ethylthiourea
PubChem CID5098448
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC Name1-benzyl-3-cyclohexyl-1-ethylthiourea
SMILESCCN(Cc1ccccc1)C(=S)NC1CCCCC1
InChIInChI=1S/C16H24N2S/c1-2-18(13-14-9-5-3-6-10-14)16(19)17-15-11-7-4-8-12-15/h3,5-6,9-10,15H,2,4,7-8,11-13H2,1H3,(H,17,19)
InChIKeyJWUCNDSORVNKNA-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3-cyclohexyl-1-(2-phenylethyl)thiourea
CID 2470828
1-benzyl-3-cyclooctyl-1-[(2-methylphenyl)methyl]thiourea
CID 17065473
1-benzyl-3-cyclopentyl-1-methylthiourea
CID 116507158
1-benzyl-3-cyclooctyl-1-(pyridin-3-ylmethyl)thiourea
CID 17065496
1-benzyl-3-cyclooctyl-1-[(1-ethylpyrrolidin-2-yl)methyl]thiourea
CID 17065707
3-cyclopentyl-1,1-diethylthiourea
CID 19652948
1-benzyl-3-cyclooctyl-1-[(2,3-dimethoxyphenyl)methyl]thiourea
CID 17065510
1-benzyl-3-cyclooctyl-1-(1-methylpiperidin-4-yl)thiourea
CID 17065687
4-N-benzyl-1-N-cyclopentyl-4-N-ethylbenzene-1,4-dicarboxamide
CID 109044420
3-cyclohexyl-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]thiourea
CID 135789332
1-benzyl-3-cyclooctyl-1-(3-morpholin-4-ylpropyl)thiourea
CID 17065602
1-benzyl-3-cyclohexyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 3169358

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-cyclohexyl-1-ethylthiourea?
The IUPAC name of 1-benzyl-3-cyclohexyl-1-ethylthiourea (CID 5098448) is 1-benzyl-3-cyclohexyl-1-ethylthiourea.
What is the SMILES notation for 1-benzyl-3-cyclohexyl-1-ethylthiourea?
The canonical SMILES for 1-benzyl-3-cyclohexyl-1-ethylthiourea is CCN(Cc1ccccc1)C(=S)NC1CCCCC1.
What is the InChIKey of 1-benzyl-3-cyclohexyl-1-ethylthiourea?
The InChIKey is JWUCNDSORVNKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S/c1-2-18(13-14-9-5-3-6-10-14)16(19)17-15-11-7-4-8-12-15/h3,5-6,9-10,15H,2,4,7-8,11-13H2,1H3,(H,17,19).
What are the key properties of 1-benzyl-3-cyclohexyl-1-ethylthiourea?
1-benzyl-3-cyclohexyl-1-ethylthiourea has a molecular weight of 276.45 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-cyclohexyl-1-ethylthiourea is sourced from PubChem (CID 5098448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).