1-cyclopentyl-3-[2-(dimethylamino)propyl]thiourea

C11H23N3S — CID 116508117

IUPAC1-cyclopentyl-3-[2-(dimethylamino)propyl]thiourea
SMILESCC(CNC(=S)NC1CCCC1)N(C)C
InChIInChI=1S/C11H23N3S/c1-9(14(2)3)8-12-11(15)13-10-6-4-5-7-10/h9-10H,4-8H2,1-3H3,(H2,12,13,15)
InChIKeyXDPYAQGQCJDSAC-UHFFFAOYSA-N
MW229.39 g/mol
LogP1.34
Rot. Bonds4

About 1-cyclopentyl-3-[2-(dimethylamino)propyl]thiourea

1-cyclopentyl-3-[2-(dimethylamino)propyl]thiourea (PubChem CID 116508117) has the molecular formula C11H23N3S and a molecular weight of 229.39 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(dimethylamino)propyl]thiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(dimethylamino)propyl]thiourea
PubChem CID116508117
Molecular FormulaC11H23N3S
Molecular Weight229.39 g/mol
Exact Mass229.16
IUPAC Name1-cyclopentyl-3-[2-(dimethylamino)propyl]thiourea
SMILESCC(CNC(=S)NC1CCCC1)N(C)C
InChIInChI=1S/C11H23N3S/c1-9(14(2)3)8-12-11(15)13-10-6-4-5-7-10/h9-10H,4-8H2,1-3H3,(H2,12,13,15)
InChIKeyXDPYAQGQCJDSAC-UHFFFAOYSA-N
XLogP1.34
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-3-(2,3-dimethylbutyl)thiourea
CID 116508951
1-cyclobutyl-3-[(2S)-2-hydroxypropyl]thiourea
CID 131160107
1-cyclopentyl-3-(2,2-difluoroethyl)thiourea
CID 116509660
1-cyclohexyl-3-(2,2-dicyclopropylethyl)thiourea
CID 115662423
1-N-cyclopentyl-2-N,2-N-dimethylpropane-1,2-diamine
CID 61044044
1-cyclooctyl-3-propylthiourea
CID 19650537
1-(4-methylcycloheptyl)-3-(2-methylpropyl)thiourea
CID 102794704
1-[(2S)-butan-2-yl]-3-cyclohexylthiourea
CID 799366
1-cyclopentyl-3-(2,2-difluoropropyl)thiourea
CID 164654773
2-(cyclohexylcarbamothioylamino)-N-(2-methylpropyl)acetamide
CID 49154483
1-cyclopentyl-3-heptylthiourea
CID 19650876
1-cyclohexyl-3-pentan-2-ylthiourea
CID 19652331

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-(dimethylamino)propyl]thiourea?
The IUPAC name of 1-cyclopentyl-3-[2-(dimethylamino)propyl]thiourea (CID 116508117) is 1-cyclopentyl-3-[2-(dimethylamino)propyl]thiourea.
What is the SMILES notation for 1-cyclopentyl-3-[2-(dimethylamino)propyl]thiourea?
The canonical SMILES for 1-cyclopentyl-3-[2-(dimethylamino)propyl]thiourea is CC(CNC(=S)NC1CCCC1)N(C)C.
What is the InChIKey of 1-cyclopentyl-3-[2-(dimethylamino)propyl]thiourea?
The InChIKey is XDPYAQGQCJDSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3S/c1-9(14(2)3)8-12-11(15)13-10-6-4-5-7-10/h9-10H,4-8H2,1-3H3,(H2,12,13,15).
What are the key properties of 1-cyclopentyl-3-[2-(dimethylamino)propyl]thiourea?
1-cyclopentyl-3-[2-(dimethylamino)propyl]thiourea has a molecular weight of 229.39 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(dimethylamino)propyl]thiourea is sourced from PubChem (CID 116508117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).