1-(2-ethylsulfanylethyl)-N-methylpiperidin-3-amine

C10H22N2S — CID 115741362

IUPAC1-(2-ethylsulfanylethyl)-N-methylpiperidin-3-amine
SMILESCCSCCN1CCCC(NC)C1
InChIInChI=1S/C10H22N2S/c1-3-13-8-7-12-6-4-5-10(9-12)11-2/h10-11H,3-9H2,1-2H3
InChIKeyUZQQZFQVACTZSK-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.42
Rot. Bonds5

About 1-(2-ethylsulfanylethyl)-N-methylpiperidin-3-amine

1-(2-ethylsulfanylethyl)-N-methylpiperidin-3-amine (PubChem CID 115741362) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 1-(2-ethylsulfanylethyl)-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-(2-ethylsulfanylethyl)-N-methylpiperidin-3-amine
PubChem CID115741362
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name1-(2-ethylsulfanylethyl)-N-methylpiperidin-3-amine
SMILESCCSCCN1CCCC(NC)C1
InChIInChI=1S/C10H22N2S/c1-3-13-8-7-12-6-4-5-10(9-12)11-2/h10-11H,3-9H2,1-2H3
InChIKeyUZQQZFQVACTZSK-UHFFFAOYSA-N
XLogP1.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-N-methylpiperidin-3-amine
CID 62534430
1-(2-benzylsulfanylethyl)-N-methylpiperidin-3-amine
CID 120837970
1-(2-ethylsulfanylethyl)azepane
CID 177053539
1,4,8,11-tetrakis(2-ethylsulfanylethyl)-1,4,8,11-tetrazacyclotetradecane
CID 70181811
1-[2-(4-fluorophenyl)sulfanylethyl]-N-methylpiperidin-3-amine
CID 62545645
1-(iodomethyl)-N-methylpiperidin-3-amine
CID 89092988
1-(2-cyclohexylethyl)-N-methylpiperidin-3-amine;hydrochloride
CID 119919012
N-[2-[3-(methylamino)piperidin-1-yl]ethyl]ethanesulfonamide;hydrochloride
CID 119920149
butane;N,1-dimethylpiperidin-3-amine
CID 91437867
2,2-dimethyl-4-[3-(methylamino)piperidin-1-yl]butanenitrile
CID 65250985
N-cyclohexyl-3-[3-(methylamino)piperidin-1-yl]propanamide
CID 62547743
N-methyl-1-propylazepan-4-amine
CID 65072873

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfanylethyl)-N-methylpiperidin-3-amine?
The IUPAC name of 1-(2-ethylsulfanylethyl)-N-methylpiperidin-3-amine (CID 115741362) is 1-(2-ethylsulfanylethyl)-N-methylpiperidin-3-amine.
What is the SMILES notation for 1-(2-ethylsulfanylethyl)-N-methylpiperidin-3-amine?
The canonical SMILES for 1-(2-ethylsulfanylethyl)-N-methylpiperidin-3-amine is CCSCCN1CCCC(NC)C1.
What is the InChIKey of 1-(2-ethylsulfanylethyl)-N-methylpiperidin-3-amine?
The InChIKey is UZQQZFQVACTZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-3-13-8-7-12-6-4-5-10(9-12)11-2/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-(2-ethylsulfanylethyl)-N-methylpiperidin-3-amine?
1-(2-ethylsulfanylethyl)-N-methylpiperidin-3-amine has a molecular weight of 202.37 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfanylethyl)-N-methylpiperidin-3-amine is sourced from PubChem (CID 115741362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).