1-cyclohexyl-3-(1-cyclopropylethyl)thiourea

C12H22N2S — CID 115573118

IUPAC1-cyclohexyl-3-(1-cyclopropylethyl)thiourea
SMILESCC(NC(=S)NC1CCCCC1)C1CC1
InChIInChI=1S/C12H22N2S/c1-9(10-7-8-10)13-12(15)14-11-5-3-2-4-6-11/h9-11H,2-8H2,1H3,(H2,13,14,15)
InChIKeyKBCKXERAIQSTOA-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.58
Rot. Bonds3

About 1-cyclohexyl-3-(1-cyclopropylethyl)thiourea

1-cyclohexyl-3-(1-cyclopropylethyl)thiourea (PubChem CID 115573118) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is 1-cyclohexyl-3-(1-cyclopropylethyl)thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-(1-cyclopropylethyl)thiourea
PubChem CID115573118
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name1-cyclohexyl-3-(1-cyclopropylethyl)thiourea
SMILESCC(NC(=S)NC1CCCCC1)C1CC1
InChIInChI=1S/C12H22N2S/c1-9(10-7-8-10)13-12(15)14-11-5-3-2-4-6-11/h9-11H,2-8H2,1H3,(H2,13,14,15)
InChIKeyKBCKXERAIQSTOA-UHFFFAOYSA-N
XLogP2.58
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.58
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-[(2S)-butan-2-yl]-3-cyclohexylthiourea
CID 799366
(2R)-2-(cyclohexylcarbamothioylamino)propanoic acid
CID 40571788
1-cyclohexyl-3-pentan-2-ylthiourea
CID 19652331
2-(cyclohexylcarbamothioylamino)propanoic acid
CID 4134493
1-cyclohexyl-3-(4,4,4-trifluorobutan-2-yl)thiourea
CID 104859022
1-cyclopentyl-3-(3,3-dimethylbutan-2-yl)thiourea
CID 19676391
1-(1-cyclohexylpropyl)-3-cyclopropylthiourea
CID 115602012
1-but-3-yn-2-yl-3-cyclobutylthiourea
CID 130742363
1-(4-methylcycloheptyl)-3-propan-2-ylthiourea
CID 102794706
1-cyclohexyl-3-(1-phenylethyl)thiourea
CID 2788079
1-cyclohexyl-3-[(1S)-1-phenylethyl]thiourea
CID 724020
1-cyclohexyl-3-(1-methylsulfinylpropan-2-yl)thiourea
CID 116510187

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(1-cyclopropylethyl)thiourea?
The IUPAC name of 1-cyclohexyl-3-(1-cyclopropylethyl)thiourea (CID 115573118) is 1-cyclohexyl-3-(1-cyclopropylethyl)thiourea.
What is the SMILES notation for 1-cyclohexyl-3-(1-cyclopropylethyl)thiourea?
The canonical SMILES for 1-cyclohexyl-3-(1-cyclopropylethyl)thiourea is CC(NC(=S)NC1CCCCC1)C1CC1.
What is the InChIKey of 1-cyclohexyl-3-(1-cyclopropylethyl)thiourea?
The InChIKey is KBCKXERAIQSTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-9(10-7-8-10)13-12(15)14-11-5-3-2-4-6-11/h9-11H,2-8H2,1H3,(H2,13,14,15).
What are the key properties of 1-cyclohexyl-3-(1-cyclopropylethyl)thiourea?
1-cyclohexyl-3-(1-cyclopropylethyl)thiourea has a molecular weight of 226.39 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(1-cyclopropylethyl)thiourea is sourced from PubChem (CID 115573118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).