1-cyclopentyl-3-(2,3-dimethylbutyl)thiourea

C12H24N2S — CID 116508951

IUPAC1-cyclopentyl-3-(2,3-dimethylbutyl)thiourea
SMILESCC(C)C(C)CNC(=S)NC1CCCC1
InChIInChI=1S/C12H24N2S/c1-9(2)10(3)8-13-12(15)14-11-6-4-5-7-11/h9-11H,4-8H2,1-3H3,(H2,13,14,15)
InChIKeySBSWNKRKFCWCLJ-UHFFFAOYSA-N
MW228.40 g/mol
LogP2.69
Rot. Bonds4

About 1-cyclopentyl-3-(2,3-dimethylbutyl)thiourea

1-cyclopentyl-3-(2,3-dimethylbutyl)thiourea (PubChem CID 116508951) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2,3-dimethylbutyl)thiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-(2,3-dimethylbutyl)thiourea
PubChem CID116508951
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name1-cyclopentyl-3-(2,3-dimethylbutyl)thiourea
SMILESCC(C)C(C)CNC(=S)NC1CCCC1
InChIInChI=1S/C12H24N2S/c1-9(2)10(3)8-13-12(15)14-11-6-4-5-7-11/h9-11H,4-8H2,1-3H3,(H2,13,14,15)
InChIKeySBSWNKRKFCWCLJ-UHFFFAOYSA-N
XLogP2.69
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 52.69
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-cyclobutyl-3-[(2S)-2-hydroxypropyl]thiourea
CID 131160107
1-cyclopentyl-3-[2-(dimethylamino)propyl]thiourea
CID 116508117
1-cyclopentyl-3-(2,2-difluoroethyl)thiourea
CID 116509660
1-cyclohexyl-3-(2,2-dicyclopropylethyl)thiourea
CID 115662423
1-(4-methylcycloheptyl)-3-(2-methylpropyl)thiourea
CID 102794704
2-(cyclohexylcarbamothioylamino)-N-(2-methylpropyl)acetamide
CID 49154483
1-cyclooctyl-3-propylthiourea
CID 19650537
N-[(2S)-2,3-dimethylbutyl]cyclopentanamine
CID 59085010
1-cycloheptyl-3-[4-(cyclohexylcarbamothioylamino)butyl]thiourea
CID 131972404
1-cyclopentyl-3-(3,3-dimethylbutan-2-yl)thiourea
CID 19676391
1-cyclopentyl-3-(3-methylsulfinylbutyl)thiourea
CID 116510241
1-cyclohexyl-3-[5-(cyclohexylcarbamothioylamino)pentyl]thiourea
CID 131972523

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2,3-dimethylbutyl)thiourea?
The IUPAC name of 1-cyclopentyl-3-(2,3-dimethylbutyl)thiourea (CID 116508951) is 1-cyclopentyl-3-(2,3-dimethylbutyl)thiourea.
What is the SMILES notation for 1-cyclopentyl-3-(2,3-dimethylbutyl)thiourea?
The canonical SMILES for 1-cyclopentyl-3-(2,3-dimethylbutyl)thiourea is CC(C)C(C)CNC(=S)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(2,3-dimethylbutyl)thiourea?
The InChIKey is SBSWNKRKFCWCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-9(2)10(3)8-13-12(15)14-11-6-4-5-7-11/h9-11H,4-8H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-cyclopentyl-3-(2,3-dimethylbutyl)thiourea?
1-cyclopentyl-3-(2,3-dimethylbutyl)thiourea has a molecular weight of 228.40 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2,3-dimethylbutyl)thiourea is sourced from PubChem (CID 116508951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).