2-[2-cyclohexyl-2-(4-methylcyclohexyl)ethyl]-1-methylpiperidine;sulfane

C21H43NS2 — CID 157232645

IUPAC2-[2-cyclohexyl-2-(4-methylcyclohexyl)ethyl]-1-methylpiperidine;sulfane
SMILESCC1CCC(C(CC2CCCCN2C)C2CCCCC2)CC1.S.S
InChIInChI=1S/C21H39N.2H2S/c1-17-11-13-19(14-12-17)21(18-8-4-3-5-9-18)16-20-10-6-7-15-22(20)2;;/h17-21H,3-16H2,1-2H3;2*1H2
InChIKeyAUGVCRQYQBWOJQ-UHFFFAOYSA-N
MW373.72 g/mol
LogP6.11
Rot. Bonds4

About 2-[2-cyclohexyl-2-(4-methylcyclohexyl)ethyl]-1-methylpiperidine;sulfane

2-[2-cyclohexyl-2-(4-methylcyclohexyl)ethyl]-1-methylpiperidine;sulfane (PubChem CID 157232645) has the molecular formula C21H43NS2 and a molecular weight of 373.72 g/mol. Its IUPAC name is 2-[2-cyclohexyl-2-(4-methylcyclohexyl)ethyl]-1-methylpiperidine;sulfane.

Molecular Properties

Compound Name2-[2-cyclohexyl-2-(4-methylcyclohexyl)ethyl]-1-methylpiperidine;sulfane
PubChem CID157232645
Molecular FormulaC21H43NS2
Molecular Weight373.72 g/mol
Exact Mass373.28
IUPAC Name2-[2-cyclohexyl-2-(4-methylcyclohexyl)ethyl]-1-methylpiperidine;sulfane
SMILESCC1CCC(C(CC2CCCCN2C)C2CCCCC2)CC1.S.S
InChIInChI=1S/C21H39N.2H2S/c1-17-11-13-19(14-12-17)21(18-8-4-3-5-9-18)16-20-10-6-7-15-22(20)2;;/h17-21H,3-16H2,1-2H3;2*1H2
InChIKeyAUGVCRQYQBWOJQ-UHFFFAOYSA-N
XLogP6.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.72
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-2-(2-methylpropyl)azepane
CID 130636029
1-(1-methylazepan-2-yl)propan-2-ol
CID 114338740
1-methyl-2-[(1-methylpiperidin-2-yl)methyl]piperidine
CID 54394556
(2R)-2-ethyl-1-methylpiperidine
CID 67552955
3-methyl-1-(1-methylpiperidin-2-yl)butan-2-amine
CID 83982236
(E)-but-2-enedioic acid;2-(2,2-dicyclohexylethyl)-1-ethylpiperidine
CID 50990468
1-cyclohexyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 115676562
3,5-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]cyclohexan-1-amine
CID 64752221
N-chloro-2-methyl-3-(1-methylpiperidin-2-yl)propan-1-amine
CID 87371691
2-amino-3-(1-methylpiperidin-2-yl)propanoic acid
CID 83668031
2-(chloromethyl)-1-methylpiperidine;hydrochloride
CID 12644392
1,2-dicyclohexylethylcyclohexane
CID 158413043

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclohexyl-2-(4-methylcyclohexyl)ethyl]-1-methylpiperidine;sulfane?
The IUPAC name of 2-[2-cyclohexyl-2-(4-methylcyclohexyl)ethyl]-1-methylpiperidine;sulfane (CID 157232645) is 2-[2-cyclohexyl-2-(4-methylcyclohexyl)ethyl]-1-methylpiperidine;sulfane.
What is the SMILES notation for 2-[2-cyclohexyl-2-(4-methylcyclohexyl)ethyl]-1-methylpiperidine;sulfane?
The canonical SMILES for 2-[2-cyclohexyl-2-(4-methylcyclohexyl)ethyl]-1-methylpiperidine;sulfane is CC1CCC(C(CC2CCCCN2C)C2CCCCC2)CC1.S.S.
What is the InChIKey of 2-[2-cyclohexyl-2-(4-methylcyclohexyl)ethyl]-1-methylpiperidine;sulfane?
The InChIKey is AUGVCRQYQBWOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N.2H2S/c1-17-11-13-19(14-12-17)21(18-8-4-3-5-9-18)16-20-10-6-7-15-22(20)2;;/h17-21H,3-16H2,1-2H3;2*1H2.
What are the key properties of 2-[2-cyclohexyl-2-(4-methylcyclohexyl)ethyl]-1-methylpiperidine;sulfane?
2-[2-cyclohexyl-2-(4-methylcyclohexyl)ethyl]-1-methylpiperidine;sulfane has a molecular weight of 373.72 g/mol, XLogP of 6.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclohexyl-2-(4-methylcyclohexyl)ethyl]-1-methylpiperidine;sulfane is sourced from PubChem (CID 157232645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).