1-cyclopentyl-3-(1,2-dimethylpiperidin-4-yl)thiourea

C13H25N3S — CID 116509599

IUPAC1-cyclopentyl-3-(1,2-dimethylpiperidin-4-yl)thiourea
SMILESCC1CC(NC(=S)NC2CCCC2)CCN1C
InChIInChI=1S/C13H25N3S/c1-10-9-12(7-8-16(10)2)15-13(17)14-11-5-3-4-6-11/h10-12H,3-9H2,1-2H3,(H2,14,15,17)
InChIKeyLFDHDLDUEBOXFB-UHFFFAOYSA-N
MW255.43 g/mol
LogP1.88
Rot. Bonds2

About 1-cyclopentyl-3-(1,2-dimethylpiperidin-4-yl)thiourea

1-cyclopentyl-3-(1,2-dimethylpiperidin-4-yl)thiourea (PubChem CID 116509599) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is 1-cyclopentyl-3-(1,2-dimethylpiperidin-4-yl)thiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-(1,2-dimethylpiperidin-4-yl)thiourea
PubChem CID116509599
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC Name1-cyclopentyl-3-(1,2-dimethylpiperidin-4-yl)thiourea
SMILESCC1CC(NC(=S)NC2CCCC2)CCN1C
InChIInChI=1S/C13H25N3S/c1-10-9-12(7-8-16(10)2)15-13(17)14-11-5-3-4-6-11/h10-12H,3-9H2,1-2H3,(H2,14,15,17)
InChIKeyLFDHDLDUEBOXFB-UHFFFAOYSA-N
XLogP1.88
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 51.88
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

N-cyclohexylpiperidine-1-carbothioamide
CID 2725476
1-Butyl-3-cyclopentylthiourea
CID 1975194
1-Butyltetrahydro-2(1H)-pyrimidinethione
CID 3000716
1-Cyclopentyl-3-propylthiourea
CID 5039833
N-cyclopropyl-N'-(1-methyl-4-piperidinyl)thiourea
CID 970803
(1-Methylpiperidin-4-yl)thiourea
CID 23041969
N-cyclopentyl-3-methyl-1-piperidinecarbothioamide
CID 2945994
(Cyclohexylamino)(2-ethylpiperidyl)methane-1-thione
CID 4534164
Dimethylzyklohexylthioharnstoff
CID 708395
3-Cyclohexyl-1,1-diethylthiourea
CID 727203
5-Cyclopentyl-1,3,5-triazinane-2-thione
CID 2824035
1-Cyclohexyl-1,3-diazinane-2-thione
CID 2806812

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(1,2-dimethylpiperidin-4-yl)thiourea?
The IUPAC name of 1-cyclopentyl-3-(1,2-dimethylpiperidin-4-yl)thiourea (CID 116509599) is 1-cyclopentyl-3-(1,2-dimethylpiperidin-4-yl)thiourea.
What is the SMILES notation for 1-cyclopentyl-3-(1,2-dimethylpiperidin-4-yl)thiourea?
The canonical SMILES for 1-cyclopentyl-3-(1,2-dimethylpiperidin-4-yl)thiourea is CC1CC(NC(=S)NC2CCCC2)CCN1C.
What is the InChIKey of 1-cyclopentyl-3-(1,2-dimethylpiperidin-4-yl)thiourea?
The InChIKey is LFDHDLDUEBOXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-10-9-12(7-8-16(10)2)15-13(17)14-11-5-3-4-6-11/h10-12H,3-9H2,1-2H3,(H2,14,15,17).
What are the key properties of 1-cyclopentyl-3-(1,2-dimethylpiperidin-4-yl)thiourea?
1-cyclopentyl-3-(1,2-dimethylpiperidin-4-yl)thiourea has a molecular weight of 255.43 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(1,2-dimethylpiperidin-4-yl)thiourea is sourced from PubChem (CID 116509599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).