(4-cyclohexylpiperidin-4-yl)methanethiol;ethane

C14H29NS — CID 142165726

IUPAC(4-cyclohexylpiperidin-4-yl)methanethiol;ethane
SMILESCC.SCC1(C2CCCCC2)CCNCC1
InChIInChI=1S/C12H23NS.C2H6/c14-10-12(6-8-13-9-7-12)11-4-2-1-3-5-11;1-2/h11,13-14H,1-10H2;1-2H3
InChIKeyBHGYDIMTEVHNEJ-UHFFFAOYSA-N
MW243.46 g/mol
LogP3.89
Rot. Bonds2

About (4-cyclohexylpiperidin-4-yl)methanethiol;ethane

(4-cyclohexylpiperidin-4-yl)methanethiol;ethane (PubChem CID 142165726) has the molecular formula C14H29NS and a molecular weight of 243.46 g/mol. Its IUPAC name is (4-cyclohexylpiperidin-4-yl)methanethiol;ethane.

Molecular Properties

Compound Name(4-cyclohexylpiperidin-4-yl)methanethiol;ethane
PubChem CID142165726
Molecular FormulaC14H29NS
Molecular Weight243.46 g/mol
Exact Mass243.20
IUPAC Name(4-cyclohexylpiperidin-4-yl)methanethiol;ethane
SMILESCC.SCC1(C2CCCCC2)CCNCC1
InChIInChI=1S/C12H23NS.C2H6/c14-10-12(6-8-13-9-7-12)11-4-2-1-3-5-11;1-2/h11,13-14H,1-10H2;1-2H3
InChIKeyBHGYDIMTEVHNEJ-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.46
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Ethanethiol, 2-((2-cyclohexylbutyl)amino)-, hydrochloride
CID 217525
Ethanethiol, 2-((4-cyclohexylpentyl)amino)-, hydrochloride
CID 217531
Ethanethiol, 2-((2-(3-methylcyclohexyl)butyl)amino)-, hydrochloride
CID 217533
5-Methyl-2-azaspiro[5.5]undecane
CID 75420881
6,6-Dimethyl-3-azabicyclo-hexan
CID 82606475
2-(2-Cyclohexylbutylamino)ethanethiol
CID 217526
2-(4-Cyclohexylpentylamino)ethanethiol
CID 217532
2-[2-(3-Methylcyclohexyl)butylamino]ethanethiol
CID 217534
2-[4-(2,4-Dimethylcyclohexyl)butylamino]ethanethiol
CID 217536
3-Azaspiro[5.5]undecane,9-(1,1-dimethylethyl)-, hydrochloride (1:1)
CID 418818
4-Cyclohexyl-4-(propan-2-ylsulfanylmethyl)piperidin-1-ium chloride
CID 17980464
4-Cyclohexyl-4-(propan-2-ylsulfanylmethyl)piperidine
CID 17980465

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperidin-4-yl)methanethiol;ethane?
The IUPAC name of (4-cyclohexylpiperidin-4-yl)methanethiol;ethane (CID 142165726) is (4-cyclohexylpiperidin-4-yl)methanethiol;ethane.
What is the SMILES notation for (4-cyclohexylpiperidin-4-yl)methanethiol;ethane?
The canonical SMILES for (4-cyclohexylpiperidin-4-yl)methanethiol;ethane is CC.SCC1(C2CCCCC2)CCNCC1.
What is the InChIKey of (4-cyclohexylpiperidin-4-yl)methanethiol;ethane?
The InChIKey is BHGYDIMTEVHNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS.C2H6/c14-10-12(6-8-13-9-7-12)11-4-2-1-3-5-11;1-2/h11,13-14H,1-10H2;1-2H3.
What are the key properties of (4-cyclohexylpiperidin-4-yl)methanethiol;ethane?
(4-cyclohexylpiperidin-4-yl)methanethiol;ethane has a molecular weight of 243.46 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperidin-4-yl)methanethiol;ethane is sourced from PubChem (CID 142165726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).