2-(2,3-dimethylpiperidin-1-yl)-4-ethylsulfanylbutan-1-amine

C13H28N2S — CID 116504084

IUPAC2-(2,3-dimethylpiperidin-1-yl)-4-ethylsulfanylbutan-1-amine
SMILESCCSCCC(CN)N1CCCC(C)C1C
InChIInChI=1S/C13H28N2S/c1-4-16-9-7-13(10-14)15-8-5-6-11(2)12(15)3/h11-13H,4-10,14H2,1-3H3
InChIKeyFWIUYFHAPCZVBF-UHFFFAOYSA-N
MW244.45 g/mol
LogP2.58
Rot. Bonds6

About 2-(2,3-dimethylpiperidin-1-yl)-4-ethylsulfanylbutan-1-amine

2-(2,3-dimethylpiperidin-1-yl)-4-ethylsulfanylbutan-1-amine (PubChem CID 116504084) has the molecular formula C13H28N2S and a molecular weight of 244.45 g/mol. Its IUPAC name is 2-(2,3-dimethylpiperidin-1-yl)-4-ethylsulfanylbutan-1-amine.

Molecular Properties

Compound Name2-(2,3-dimethylpiperidin-1-yl)-4-ethylsulfanylbutan-1-amine
PubChem CID116504084
Molecular FormulaC13H28N2S
Molecular Weight244.45 g/mol
Exact Mass244.20
IUPAC Name2-(2,3-dimethylpiperidin-1-yl)-4-ethylsulfanylbutan-1-amine
SMILESCCSCCC(CN)N1CCCC(C)C1C
InChIInChI=1S/C13H28N2S/c1-4-16-9-7-13(10-14)15-8-5-6-11(2)12(15)3/h11-13H,4-10,14H2,1-3H3
InChIKeyFWIUYFHAPCZVBF-UHFFFAOYSA-N
XLogP2.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 52.58
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

4-ethylsulfanyl-2-(2-methylpyrrolidin-1-yl)butan-1-amine
CID 116504003
2-cyclopropyl-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 62124066
4-ethylsulfanyl-2-(3-methoxypyrrolidin-1-yl)butan-1-amine
CID 103531652
2-(2,6-dimethylmorpholin-4-yl)-4-ethylsulfanylbutan-1-amine
CID 116503923
3-(2,3-dimethylpiperidin-1-yl)pentanethioamide
CID 62122843
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-ethylsulfanylbutan-1-amine
CID 116504195
2-(2,3-dimethylpiperidin-1-yl)-N-ethylbutan-1-amine
CID 62413504
2-(2-methylpyrrolidin-1-yl)butan-1-amine
CID 60973442
2-(2-ethylpyrrolidin-1-yl)pentan-1-amine
CID 60974673
2-(2-methylpyrrolidin-1-yl)octan-1-amine
CID 60975076
4-ethylsulfanyl-2-(3-phenylpyrrolidin-1-yl)butan-1-amine
CID 116504085
4-(2,3-dimethylpiperidin-1-yl)pentan-2-amine
CID 64707838

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylpiperidin-1-yl)-4-ethylsulfanylbutan-1-amine?
The IUPAC name of 2-(2,3-dimethylpiperidin-1-yl)-4-ethylsulfanylbutan-1-amine (CID 116504084) is 2-(2,3-dimethylpiperidin-1-yl)-4-ethylsulfanylbutan-1-amine.
What is the SMILES notation for 2-(2,3-dimethylpiperidin-1-yl)-4-ethylsulfanylbutan-1-amine?
The canonical SMILES for 2-(2,3-dimethylpiperidin-1-yl)-4-ethylsulfanylbutan-1-amine is CCSCCC(CN)N1CCCC(C)C1C.
What is the InChIKey of 2-(2,3-dimethylpiperidin-1-yl)-4-ethylsulfanylbutan-1-amine?
The InChIKey is FWIUYFHAPCZVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2S/c1-4-16-9-7-13(10-14)15-8-5-6-11(2)12(15)3/h11-13H,4-10,14H2,1-3H3.
What are the key properties of 2-(2,3-dimethylpiperidin-1-yl)-4-ethylsulfanylbutan-1-amine?
2-(2,3-dimethylpiperidin-1-yl)-4-ethylsulfanylbutan-1-amine has a molecular weight of 244.45 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylpiperidin-1-yl)-4-ethylsulfanylbutan-1-amine is sourced from PubChem (CID 116504084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).