1-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]propan-2-amine

C11H24N2S — CID 66218738

IUPAC1-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]propan-2-amine
SMILESCC(N)CSCCC1CCCCN1C
InChIInChI=1S/C11H24N2S/c1-10(12)9-14-8-6-11-5-3-4-7-13(11)2/h10-11H,3-9,12H2,1-2H3
InChIKeyDCGUGUBKNCIRRZ-UHFFFAOYSA-N
MW216.39 g/mol
LogP1.94
Rot. Bonds5

About 1-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]propan-2-amine

1-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]propan-2-amine (PubChem CID 66218738) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is 1-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]propan-2-amine
PubChem CID66218738
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC Name1-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]propan-2-amine
SMILESCC(N)CSCCC1CCCCN1C
InChIInChI=1S/C11H24N2S/c1-10(12)9-14-8-6-11-5-3-4-7-13(11)2/h10-11H,3-9,12H2,1-2H3
InChIKeyDCGUGUBKNCIRRZ-UHFFFAOYSA-N
XLogP1.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 51.94
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

3-methyl-1-(1-methylpiperidin-2-yl)butan-2-amine
CID 83982236
2-[(2S)-1-methylazepan-2-yl]ethanamine;molecular hydrogen
CID 178143502
1-methyl-2-[2-(2-methylsulfonylethylsulfanyl)ethyl]pyrrolidine
CID 75390836
1-methyl-2-(2-methylpropyl)azepane
CID 130636029
1-methyl-2-[(1-methylpiperidin-2-yl)methyl]piperidine
CID 54394556
(2R)-2-ethyl-1-methylpiperidine
CID 67552955
5-methyl-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline
CID 43302287
N-methyl-1-[4-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]ethanamine
CID 107914251
2-(chloromethyl)-1-methylpiperidine;hydrochloride
CID 12644392
4-fluoro-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline
CID 79148324
5-bromo-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline
CID 43305678
2-(1-methylpiperidin-2-yl)ethanesulfonamide
CID 107912942

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]propan-2-amine?
The IUPAC name of 1-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]propan-2-amine (CID 66218738) is 1-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]propan-2-amine.
What is the SMILES notation for 1-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]propan-2-amine?
The canonical SMILES for 1-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]propan-2-amine is CC(N)CSCCC1CCCCN1C.
What is the InChIKey of 1-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]propan-2-amine?
The InChIKey is DCGUGUBKNCIRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-10(12)9-14-8-6-11-5-3-4-7-13(11)2/h10-11H,3-9,12H2,1-2H3.
What are the key properties of 1-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]propan-2-amine?
1-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]propan-2-amine has a molecular weight of 216.39 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]propan-2-amine is sourced from PubChem (CID 66218738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).