N-ethyl-1-(3-methylsulfanylcyclohexyl)piperidin-3-amine

C14H28N2S — CID 114122749

IUPACN-ethyl-1-(3-methylsulfanylcyclohexyl)piperidin-3-amine
SMILESCCNC1CCCN(C2CCCC(SC)C2)C1
InChIInChI=1S/C14H28N2S/c1-3-15-12-6-5-9-16(11-12)13-7-4-8-14(10-13)17-2/h12-15H,3-11H2,1-2H3
InChIKeySTEXGDVOLSVBOS-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.73
Rot. Bonds4

About N-ethyl-1-(3-methylsulfanylcyclohexyl)piperidin-3-amine

N-ethyl-1-(3-methylsulfanylcyclohexyl)piperidin-3-amine (PubChem CID 114122749) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is N-ethyl-1-(3-methylsulfanylcyclohexyl)piperidin-3-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methylsulfanylcyclohexyl)piperidin-3-amine
PubChem CID114122749
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC NameN-ethyl-1-(3-methylsulfanylcyclohexyl)piperidin-3-amine
SMILESCCNC1CCCN(C2CCCC(SC)C2)C1
InChIInChI=1S/C14H28N2S/c1-3-15-12-6-5-9-16(11-12)13-7-4-8-14(10-13)17-2/h12-15H,3-11H2,1-2H3
InChIKeySTEXGDVOLSVBOS-UHFFFAOYSA-N
XLogP2.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylsulfanylcyclohexyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 103847622
N-ethyl-3-(3-piperidin-1-ylpyrrolidin-1-yl)cyclohexan-1-amine
CID 79618174
N-ethyl-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrrolidin-3-amine
CID 65472979
1-(3-methylsulfanylcyclohexyl)-3-propyl-1,4-diazepane
CID 114122783
cis-(1R,3S)-N-ethyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine
CID 66634425
N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-amine
CID 79618408
N-ethyl-3-(4-ethylpiperidin-1-yl)cyclohexan-1-amine
CID 79630874
N-ethyl-3-piperidin-1-ylcyclopentan-1-amine
CID 79643289
N-ethyl-3-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine
CID 79618505
N-ethyl-3-(3-phenylpyrrolidin-1-yl)cyclohexan-1-amine
CID 79617835
N-ethyl-1-(4-methylcyclohexyl)pyrrolidin-3-amine
CID 43315476
N-ethyl-3-ethylsulfanylcyclohexan-1-amine
CID 64715277

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methylsulfanylcyclohexyl)piperidin-3-amine?
The IUPAC name of N-ethyl-1-(3-methylsulfanylcyclohexyl)piperidin-3-amine (CID 114122749) is N-ethyl-1-(3-methylsulfanylcyclohexyl)piperidin-3-amine.
What is the SMILES notation for N-ethyl-1-(3-methylsulfanylcyclohexyl)piperidin-3-amine?
The canonical SMILES for N-ethyl-1-(3-methylsulfanylcyclohexyl)piperidin-3-amine is CCNC1CCCN(C2CCCC(SC)C2)C1.
What is the InChIKey of N-ethyl-1-(3-methylsulfanylcyclohexyl)piperidin-3-amine?
The InChIKey is STEXGDVOLSVBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-3-15-12-6-5-9-16(11-12)13-7-4-8-14(10-13)17-2/h12-15H,3-11H2,1-2H3.
What are the key properties of N-ethyl-1-(3-methylsulfanylcyclohexyl)piperidin-3-amine?
N-ethyl-1-(3-methylsulfanylcyclohexyl)piperidin-3-amine has a molecular weight of 256.46 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methylsulfanylcyclohexyl)piperidin-3-amine is sourced from PubChem (CID 114122749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).