(3S)-N-cyclohexyl-3-hydroxypiperidine-1-carbothioamide

C12H22N2OS — CID 8669560

IUPAC(3S)-N-cyclohexyl-3-hydroxypiperidine-1-carbothioamide
SMILESO[C@H]1CCCN(C(=S)NC2CCCCC2)C1
InChIInChI=1S/C12H22N2OS/c15-11-7-4-8-14(9-11)12(16)13-10-5-2-1-3-6-10/h10-11,15H,1-9H2,(H,13,16)/t11-/m0/s1
InChIKeyKPABPNFWKBIXIQ-NSHDSACASA-N
MW242.39 g/mol
LogP1.65
Rot. Bonds1

About (3S)-N-cyclohexyl-3-hydroxypiperidine-1-carbothioamide

(3S)-N-cyclohexyl-3-hydroxypiperidine-1-carbothioamide (PubChem CID 8669560) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is (3S)-N-cyclohexyl-3-hydroxypiperidine-1-carbothioamide.

Molecular Properties

Compound Name(3S)-N-cyclohexyl-3-hydroxypiperidine-1-carbothioamide
PubChem CID8669560
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name(3S)-N-cyclohexyl-3-hydroxypiperidine-1-carbothioamide
SMILESO[C@H]1CCCN(C(=S)NC2CCCCC2)C1
InChIInChI=1S/C12H22N2OS/c15-11-7-4-8-14(9-11)12(16)13-10-5-2-1-3-6-10/h10-11,15H,1-9H2,(H,13,16)/t11-/m0/s1
InChIKeyKPABPNFWKBIXIQ-NSHDSACASA-N
XLogP1.65
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.65
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

(3R)-N-cyclopentyl-3-methylpiperidine-1-carbothioamide
CID 947302
N-cyclohexyl-3-(trifluoromethyl)piperidine-1-carbothioamide
CID 115570991
N-cyclopropylazocane-1-carbothioamide
CID 115570256
N-cyclohexyl-3-azabicyclo[3.2.2]nonane-3-carbothioamide
CID 2797406
(3S,5S)-N-cyclohexyl-3,5-dimethylpiperidine-1-carbothioamide
CID 2457101
(3R,5S)-N-cyclohexyl-3,5-dimethylpiperidine-1-carbothioamide
CID 2457098
N-cyclopropyl-3-(hydroxymethyl)piperidine-1-carbothioamide
CID 4888703
N-cyclohexyl-3-propylpyrrolidine-1-carbothioamide
CID 116510071
N-cyclohexyl-4-ethyl-3-methylpiperazine-1-carbothioamide
CID 115763520
N-cyclohexyl-4-(dimethylamino)piperidine-1-carbothioamide
CID 113224022
N-cyclohexyl-4-[[(3S,5R)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidine-1-carbothioamide
CID 166834272
cyclopentyl-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 93040537

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclohexyl-3-hydroxypiperidine-1-carbothioamide?
The IUPAC name of (3S)-N-cyclohexyl-3-hydroxypiperidine-1-carbothioamide (CID 8669560) is (3S)-N-cyclohexyl-3-hydroxypiperidine-1-carbothioamide.
What is the SMILES notation for (3S)-N-cyclohexyl-3-hydroxypiperidine-1-carbothioamide?
The canonical SMILES for (3S)-N-cyclohexyl-3-hydroxypiperidine-1-carbothioamide is O[C@H]1CCCN(C(=S)NC2CCCCC2)C1.
What is the InChIKey of (3S)-N-cyclohexyl-3-hydroxypiperidine-1-carbothioamide?
The InChIKey is KPABPNFWKBIXIQ-NSHDSACASA-N. The full InChI is InChI=1S/C12H22N2OS/c15-11-7-4-8-14(9-11)12(16)13-10-5-2-1-3-6-10/h10-11,15H,1-9H2,(H,13,16)/t11-/m0/s1.
What are the key properties of (3S)-N-cyclohexyl-3-hydroxypiperidine-1-carbothioamide?
(3S)-N-cyclohexyl-3-hydroxypiperidine-1-carbothioamide has a molecular weight of 242.39 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclohexyl-3-hydroxypiperidine-1-carbothioamide is sourced from PubChem (CID 8669560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).