2-methyl-3-(piperidin-2-ylmethylsulfanyl)propan-1-amine

C10H22N2S — CID 66227408

IUPAC2-methyl-3-(piperidin-2-ylmethylsulfanyl)propan-1-amine
SMILESCC(CN)CSCC1CCCCN1
InChIInChI=1S/C10H22N2S/c1-9(6-11)7-13-8-10-4-2-3-5-12-10/h9-10,12H,2-8,11H2,1H3
InChIKeyLYMMPLAVAWMFJH-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.46
Rot. Bonds5

About 2-methyl-3-(piperidin-2-ylmethylsulfanyl)propan-1-amine

2-methyl-3-(piperidin-2-ylmethylsulfanyl)propan-1-amine (PubChem CID 66227408) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 2-methyl-3-(piperidin-2-ylmethylsulfanyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(piperidin-2-ylmethylsulfanyl)propan-1-amine
PubChem CID66227408
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name2-methyl-3-(piperidin-2-ylmethylsulfanyl)propan-1-amine
SMILESCC(CN)CSCC1CCCCN1
InChIInChI=1S/C10H22N2S/c1-9(6-11)7-13-8-10-4-2-3-5-12-10/h9-10,12H,2-8,11H2,1H3
InChIKeyLYMMPLAVAWMFJH-UHFFFAOYSA-N
XLogP1.46
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-methylsulfanyl-N-(1-piperidin-2-ylpropan-2-yl)propan-1-amine
CID 79538185
(2S)-2-(propylsulfanylmethyl)pyrrolidine
CID 102820309
[(2S)-piperidin-2-yl]methanamine;dihydrochloride
CID 134690845
[(2R)-piperidin-2-yl]methanamine;hydrochloride
CID 70654045
1-(2-piperidin-2-ylethylsulfanyl)butan-2-amine
CID 66230051
N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine
CID 59332807
ethane;1-pyrrolidin-2-ylpropan-2-ol
CID 145416338
(2S)-2-(3-methylbutyl)piperidine
CID 94379266
2-(oxolan-2-ylmethylsulfanylmethyl)piperidine
CID 106495458
(2S)-2-(butylsulfanylmethyl)pyrrolidine
CID 102820326
(2R)-2-methyl-3-[(2S)-piperidin-2-yl]propanoic acid
CID 124547717
1-piperidin-2-ylpropan-2-yl formate
CID 175103047

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(piperidin-2-ylmethylsulfanyl)propan-1-amine?
The IUPAC name of 2-methyl-3-(piperidin-2-ylmethylsulfanyl)propan-1-amine (CID 66227408) is 2-methyl-3-(piperidin-2-ylmethylsulfanyl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-(piperidin-2-ylmethylsulfanyl)propan-1-amine?
The canonical SMILES for 2-methyl-3-(piperidin-2-ylmethylsulfanyl)propan-1-amine is CC(CN)CSCC1CCCCN1.
What is the InChIKey of 2-methyl-3-(piperidin-2-ylmethylsulfanyl)propan-1-amine?
The InChIKey is LYMMPLAVAWMFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-9(6-11)7-13-8-10-4-2-3-5-12-10/h9-10,12H,2-8,11H2,1H3.
What are the key properties of 2-methyl-3-(piperidin-2-ylmethylsulfanyl)propan-1-amine?
2-methyl-3-(piperidin-2-ylmethylsulfanyl)propan-1-amine has a molecular weight of 202.37 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(piperidin-2-ylmethylsulfanyl)propan-1-amine is sourced from PubChem (CID 66227408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).