(4-cyclohexylpiperidin-4-yl)methanethiolate;tungsten

C12H22NSW- — CID 58606763

IUPAC(4-cyclohexylpiperidin-4-yl)methanethiolate;tungsten
SMILES[S-]CC1(C2CCCCC2)CCNCC1.[W]
InChIInChI=1S/C12H23NS.W/c14-10-12(6-8-13-9-7-12)11-4-2-1-3-5-11;/h11,13-14H,1-10H2;/p-1
InChIKeyDMIZUOPQJIWMKP-UHFFFAOYSA-M
MW396.22 g/mol
LogP2.48
Rot. Bonds2

About (4-cyclohexylpiperidin-4-yl)methanethiolate;tungsten

(4-cyclohexylpiperidin-4-yl)methanethiolate;tungsten (PubChem CID 58606763) has the molecular formula C12H22NSW- and a molecular weight of 396.22 g/mol. Its IUPAC name is (4-cyclohexylpiperidin-4-yl)methanethiolate;tungsten.

Molecular Properties

Compound Name(4-cyclohexylpiperidin-4-yl)methanethiolate;tungsten
PubChem CID58606763
Molecular FormulaC12H22NSW-
Molecular Weight396.22 g/mol
Exact Mass396.10
IUPAC Name(4-cyclohexylpiperidin-4-yl)methanethiolate;tungsten
SMILES[S-]CC1(C2CCCCC2)CCNCC1.[W]
InChIInChI=1S/C12H23NS.W/c14-10-12(6-8-13-9-7-12)11-4-2-1-3-5-11;/h11,13-14H,1-10H2;/p-1
InChIKeyDMIZUOPQJIWMKP-UHFFFAOYSA-M
XLogP2.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.22
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

5-Methyl-2-azaspiro[5.5]undecane
CID 75420881
6,6-Dimethyl-3-azabicyclo-hexan
CID 82606475
4-Cyclohexyl-4-(propan-2-ylsulfanylmethyl)piperidin-1-ium chloride
CID 17980464
4-Cyclohexyl-4-(propan-2-ylsulfanylmethyl)piperidine
CID 17980465
3-Cyclohexyl-3-ethylpiperidine
CID 20521857
4-Cyclohexyl-4-methylpiperidine
CID 59655944
3-Cyclohexyl-3-methylpiperidine
CID 64221432
(1-Piperidin-4-ylcyclohexyl)methanamine
CID 69513639
5-Methyl-3-azaspiro[5.5]undecane
CID 79321179
4-Cyclohexyl-4-ethylpiperidine
CID 84114635
4-Cyclohexyl-4-(propan-2-ylsulfanylmethyl)piperidine;hydrochloride
CID 86209349
6-Amino-5-cyclohexylpiperidine-3-thiol
CID 123925528

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperidin-4-yl)methanethiolate;tungsten?
The IUPAC name of (4-cyclohexylpiperidin-4-yl)methanethiolate;tungsten (CID 58606763) is (4-cyclohexylpiperidin-4-yl)methanethiolate;tungsten.
What is the SMILES notation for (4-cyclohexylpiperidin-4-yl)methanethiolate;tungsten?
The canonical SMILES for (4-cyclohexylpiperidin-4-yl)methanethiolate;tungsten is [S-]CC1(C2CCCCC2)CCNCC1.[W].
What is the InChIKey of (4-cyclohexylpiperidin-4-yl)methanethiolate;tungsten?
The InChIKey is DMIZUOPQJIWMKP-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H23NS.W/c14-10-12(6-8-13-9-7-12)11-4-2-1-3-5-11;/h11,13-14H,1-10H2;/p-1.
What are the key properties of (4-cyclohexylpiperidin-4-yl)methanethiolate;tungsten?
(4-cyclohexylpiperidin-4-yl)methanethiolate;tungsten has a molecular weight of 396.22 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperidin-4-yl)methanethiolate;tungsten is sourced from PubChem (CID 58606763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).