(3R,5S)-N-cyclopropyl-3,5-dimethylpiperidine-1-carbothioamide

C11H20N2S — CID 51529104

IUPAC(3R,5S)-N-cyclopropyl-3,5-dimethylpiperidine-1-carbothioamide
SMILESC[C@@H]1C[C@H](C)CN(C(=S)NC2CC2)C1
InChIInChI=1S/C11H20N2S/c1-8-5-9(2)7-13(6-8)11(14)12-10-3-4-10/h8-10H,3-7H2,1-2H3,(H,12,14)/t8-,9+
InChIKeyZDPKKDDUHJJTQO-DTORHVGOSA-N
MW212.36 g/mol
LogP2.00
Rot. Bonds1

About (3R,5S)-N-cyclopropyl-3,5-dimethylpiperidine-1-carbothioamide

(3R,5S)-N-cyclopropyl-3,5-dimethylpiperidine-1-carbothioamide (PubChem CID 51529104) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is (3R,5S)-N-cyclopropyl-3,5-dimethylpiperidine-1-carbothioamide.

Molecular Properties

Compound Name(3R,5S)-N-cyclopropyl-3,5-dimethylpiperidine-1-carbothioamide
PubChem CID51529104
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name(3R,5S)-N-cyclopropyl-3,5-dimethylpiperidine-1-carbothioamide
SMILESC[C@@H]1C[C@H](C)CN(C(=S)NC2CC2)C1
InChIInChI=1S/C11H20N2S/c1-8-5-9(2)7-13(6-8)11(14)12-10-3-4-10/h8-10H,3-7H2,1-2H3,(H,12,14)/t8-,9+
InChIKeyZDPKKDDUHJJTQO-DTORHVGOSA-N
XLogP2.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.00
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
(3R)-N-cyclopentyl-3-methylpiperidine-1-carbothioamide
CID 947302
N-cyclopropylazocane-1-carbothioamide
CID 115570256
N-cyclopropyl-4,4-dimethylpiperidine-1-carbothioamide
CID 115605781
N-cyclopropyl-3-methoxypyrrolidine-1-carbothioamide
CID 103532015
N-cyclopropyl-4-propan-2-ylpiperazine-1-carbothioamide
CID 115579026
(3S,5S)-N-cyclohexyl-3,5-dimethylpiperidine-1-carboxamide
CID 1332142
N-cyclopentyl-3,4-dimethoxypyrrolidine-1-carbothioamide
CID 103532029
N-cyclopropyl-3,3-dimethylpyrrolidine-1-carbothioamide
CID 115662451
N-cyclohexyl-3-azabicyclo[3.2.2]nonane-3-carbothioamide
CID 2797406
N-cyclopropyl-2,3-dimethylpyrrolidine-1-carbothioamide
CID 130634932

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-N-cyclopropyl-3,5-dimethylpiperidine-1-carbothioamide?
The IUPAC name of (3R,5S)-N-cyclopropyl-3,5-dimethylpiperidine-1-carbothioamide (CID 51529104) is (3R,5S)-N-cyclopropyl-3,5-dimethylpiperidine-1-carbothioamide.
What is the SMILES notation for (3R,5S)-N-cyclopropyl-3,5-dimethylpiperidine-1-carbothioamide?
The canonical SMILES for (3R,5S)-N-cyclopropyl-3,5-dimethylpiperidine-1-carbothioamide is C[C@@H]1C[C@H](C)CN(C(=S)NC2CC2)C1.
What is the InChIKey of (3R,5S)-N-cyclopropyl-3,5-dimethylpiperidine-1-carbothioamide?
The InChIKey is ZDPKKDDUHJJTQO-DTORHVGOSA-N. The full InChI is InChI=1S/C11H20N2S/c1-8-5-9(2)7-13(6-8)11(14)12-10-3-4-10/h8-10H,3-7H2,1-2H3,(H,12,14)/t8-,9+.
What are the key properties of (3R,5S)-N-cyclopropyl-3,5-dimethylpiperidine-1-carbothioamide?
(3R,5S)-N-cyclopropyl-3,5-dimethylpiperidine-1-carbothioamide has a molecular weight of 212.36 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-N-cyclopropyl-3,5-dimethylpiperidine-1-carbothioamide is sourced from PubChem (CID 51529104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).