(3R)-N-cyclopentyl-3-methylpiperidine-1-carbothioamide

C12H22N2S — CID 947302

IUPAC(3R)-N-cyclopentyl-3-methylpiperidine-1-carbothioamide
SMILESC[C@@H]1CCCN(C(=S)NC2CCCC2)C1
InChIInChI=1S/C12H22N2S/c1-10-5-4-8-14(9-10)12(15)13-11-6-2-3-7-11/h10-11H,2-9H2,1H3,(H,13,15)/t10-/m1/s1
InChIKeyNGNQBTFCORRJEQ-SNVBAGLBSA-N
MW226.39 g/mol
LogP2.54
Rot. Bonds1

About (3R)-N-cyclopentyl-3-methylpiperidine-1-carbothioamide

(3R)-N-cyclopentyl-3-methylpiperidine-1-carbothioamide (PubChem CID 947302) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is (3R)-N-cyclopentyl-3-methylpiperidine-1-carbothioamide.

Molecular Properties

Compound Name(3R)-N-cyclopentyl-3-methylpiperidine-1-carbothioamide
PubChem CID947302
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name(3R)-N-cyclopentyl-3-methylpiperidine-1-carbothioamide
SMILESC[C@@H]1CCCN(C(=S)NC2CCCC2)C1
InChIInChI=1S/C12H22N2S/c1-10-5-4-8-14(9-10)12(15)13-11-6-2-3-7-11/h10-11H,2-9H2,1H3,(H,13,15)/t10-/m1/s1
InChIKeyNGNQBTFCORRJEQ-SNVBAGLBSA-N
XLogP2.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.54
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

(3S,5S)-N-cyclohexyl-3,5-dimethylpiperidine-1-carbothioamide
CID 2457101
(3R,5S)-N-cyclohexyl-3,5-dimethylpiperidine-1-carbothioamide
CID 2457098
(3S)-N-cyclohexyl-3-hydroxypiperidine-1-carbothioamide
CID 8669560
N-cyclohexyl-3-(trifluoromethyl)piperidine-1-carbothioamide
CID 115570991
(3R,5S)-N-cyclopropyl-3,5-dimethylpiperidine-1-carbothioamide
CID 51529104
N-cyclohexyl-4-ethyl-3-methylpiperazine-1-carbothioamide
CID 115763520
N-cyclopropylazocane-1-carbothioamide
CID 115570256
N-cyclopropyl-3-(hydroxymethyl)piperidine-1-carbothioamide
CID 4888703
N-cyclohexyl-3-azabicyclo[3.2.2]nonane-3-carbothioamide
CID 2797406
N-cyclopentyl-3,4-dimethoxypyrrolidine-1-carbothioamide
CID 103532029
N-cyclohexyl-3-propylpyrrolidine-1-carbothioamide
CID 116510071
N-cyclohexyl-4-(dimethylamino)piperidine-1-carbothioamide
CID 113224022

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclopentyl-3-methylpiperidine-1-carbothioamide?
The IUPAC name of (3R)-N-cyclopentyl-3-methylpiperidine-1-carbothioamide (CID 947302) is (3R)-N-cyclopentyl-3-methylpiperidine-1-carbothioamide.
What is the SMILES notation for (3R)-N-cyclopentyl-3-methylpiperidine-1-carbothioamide?
The canonical SMILES for (3R)-N-cyclopentyl-3-methylpiperidine-1-carbothioamide is C[C@@H]1CCCN(C(=S)NC2CCCC2)C1.
What is the InChIKey of (3R)-N-cyclopentyl-3-methylpiperidine-1-carbothioamide?
The InChIKey is NGNQBTFCORRJEQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22N2S/c1-10-5-4-8-14(9-10)12(15)13-11-6-2-3-7-11/h10-11H,2-9H2,1H3,(H,13,15)/t10-/m1/s1.
What are the key properties of (3R)-N-cyclopentyl-3-methylpiperidine-1-carbothioamide?
(3R)-N-cyclopentyl-3-methylpiperidine-1-carbothioamide has a molecular weight of 226.39 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclopentyl-3-methylpiperidine-1-carbothioamide is sourced from PubChem (CID 947302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).