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

C14H26N2S — CID 2457098

IUPAC(3R,5S)-N-cyclohexyl-3,5-dimethylpiperidine-1-carbothioamide
SMILESC[C@@H]1C[C@H](C)CN(C(=S)NC2CCCCC2)C1
InChIInChI=1S/C14H26N2S/c1-11-8-12(2)10-16(9-11)14(17)15-13-6-4-3-5-7-13/h11-13H,3-10H2,1-2H3,(H,15,17)/t11-,12+
InChIKeyQLNVTSLHVPXNKC-TXEJJXNPSA-N
MW254.44 g/mol
LogP3.17
Rot. Bonds1

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

(3R,5S)-N-cyclohexyl-3,5-dimethylpiperidine-1-carbothioamide (PubChem CID 2457098) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is (3R,5S)-N-cyclohexyl-3,5-dimethylpiperidine-1-carbothioamide.

Molecular Properties

Compound Name(3R,5S)-N-cyclohexyl-3,5-dimethylpiperidine-1-carbothioamide
PubChem CID2457098
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name(3R,5S)-N-cyclohexyl-3,5-dimethylpiperidine-1-carbothioamide
SMILESC[C@@H]1C[C@H](C)CN(C(=S)NC2CCCCC2)C1
InChIInChI=1S/C14H26N2S/c1-11-8-12(2)10-16(9-11)14(17)15-13-6-4-3-5-7-13/h11-13H,3-10H2,1-2H3,(H,15,17)/t11-,12+
InChIKeyQLNVTSLHVPXNKC-TXEJJXNPSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.17
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-cyclopropyl-3,5-dimethylpiperidine-1-carbothioamide
CID 51529104
(3R)-N-cyclopentyl-3-methylpiperidine-1-carbothioamide
CID 947302
N-cyclohexyl-3-azabicyclo[3.2.2]nonane-3-carbothioamide
CID 2797406
(3S,5S)-N-cyclohexyl-3,5-dimethylpiperidine-1-carboxamide
CID 1332142
N-cycloheptyl-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108520617
N-cyclopentyl-3,4-dimethoxypyrrolidine-1-carbothioamide
CID 103532029
(3S)-N-cyclohexyl-3-hydroxypiperidine-1-carbothioamide
CID 8669560
N-cyclohexyl-4-(dimethylamino)piperidine-1-carbothioamide
CID 113224022
N-cyclohexyl-4-ethyl-3-methylpiperazine-1-carbothioamide
CID 115763520
N-cyclopropylazocane-1-carbothioamide
CID 115570256
N-cyclohexyl-3-propylpyrrolidine-1-carbothioamide
CID 116510071

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-N-cyclohexyl-3,5-dimethylpiperidine-1-carbothioamide?
The IUPAC name of (3R,5S)-N-cyclohexyl-3,5-dimethylpiperidine-1-carbothioamide (CID 2457098) is (3R,5S)-N-cyclohexyl-3,5-dimethylpiperidine-1-carbothioamide.
What is the SMILES notation for (3R,5S)-N-cyclohexyl-3,5-dimethylpiperidine-1-carbothioamide?
The canonical SMILES for (3R,5S)-N-cyclohexyl-3,5-dimethylpiperidine-1-carbothioamide is C[C@@H]1C[C@H](C)CN(C(=S)NC2CCCCC2)C1.
What is the InChIKey of (3R,5S)-N-cyclohexyl-3,5-dimethylpiperidine-1-carbothioamide?
The InChIKey is QLNVTSLHVPXNKC-TXEJJXNPSA-N. The full InChI is InChI=1S/C14H26N2S/c1-11-8-12(2)10-16(9-11)14(17)15-13-6-4-3-5-7-13/h11-13H,3-10H2,1-2H3,(H,15,17)/t11-,12+.
What are the key properties of (3R,5S)-N-cyclohexyl-3,5-dimethylpiperidine-1-carbothioamide?
(3R,5S)-N-cyclohexyl-3,5-dimethylpiperidine-1-carbothioamide has a molecular weight of 254.44 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-N-cyclohexyl-3,5-dimethylpiperidine-1-carbothioamide is sourced from PubChem (CID 2457098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).