2-methyl-2-(3-methylsulfanylpiperidin-1-yl)propan-1-amine

C10H22N2S — CID 127004821

IUPAC2-methyl-2-(3-methylsulfanylpiperidin-1-yl)propan-1-amine
SMILESCSC1CCCN(C(C)(C)CN)C1
InChIInChI=1S/C10H22N2S/c1-10(2,8-11)12-6-4-5-9(7-12)13-3/h9H,4-8,11H2,1-3H3
InChIKeyBQLQJQARHDZTSA-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.55
Rot. Bonds3

About 2-methyl-2-(3-methylsulfanylpiperidin-1-yl)propan-1-amine

2-methyl-2-(3-methylsulfanylpiperidin-1-yl)propan-1-amine (PubChem CID 127004821) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 2-methyl-2-(3-methylsulfanylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(3-methylsulfanylpiperidin-1-yl)propan-1-amine
PubChem CID127004821
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name2-methyl-2-(3-methylsulfanylpiperidin-1-yl)propan-1-amine
SMILESCSC1CCCN(C(C)(C)CN)C1
InChIInChI=1S/C10H22N2S/c1-10(2,8-11)12-6-4-5-9(7-12)13-3/h9H,4-8,11H2,1-3H3
InChIKeyBQLQJQARHDZTSA-UHFFFAOYSA-N
XLogP1.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(4-methylsulfanylpiperidin-1-yl)propan-1-amine
CID 130490296
2-(3-methylsulfanylpiperidin-1-yl)ethanamine
CID 130909559
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methylpropan-1-amine
CID 115559453
2-methyl-2-(3-methylazetidin-1-yl)propan-1-amine
CID 79677303
(2R)-1-(3-methylsulfanylpiperidin-1-yl)propan-2-amine
CID 127004218
2-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpropan-1-amine
CID 70325747
2-(4-cyclohexylpiperazin-1-yl)-2-methylpropan-1-amine
CID 63343501
1-(1-amino-2-methylpropan-2-yl)-N,N-dimethylpiperidin-4-amine
CID 43585866
2-(4-ethylpiperidin-1-yl)-2-methylpropan-1-amine
CID 61420944
2-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpropan-1-amine
CID 63610457
2-(3-methylsulfanylpyrrolidin-1-yl)ethanamine
CID 130757506
2-methyl-2-(3-methylpiperidin-1-yl)butan-1-amine
CID 24693649

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-methylsulfanylpiperidin-1-yl)propan-1-amine?
The IUPAC name of 2-methyl-2-(3-methylsulfanylpiperidin-1-yl)propan-1-amine (CID 127004821) is 2-methyl-2-(3-methylsulfanylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-2-(3-methylsulfanylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for 2-methyl-2-(3-methylsulfanylpiperidin-1-yl)propan-1-amine is CSC1CCCN(C(C)(C)CN)C1.
What is the InChIKey of 2-methyl-2-(3-methylsulfanylpiperidin-1-yl)propan-1-amine?
The InChIKey is BQLQJQARHDZTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-10(2,8-11)12-6-4-5-9(7-12)13-3/h9H,4-8,11H2,1-3H3.
What are the key properties of 2-methyl-2-(3-methylsulfanylpiperidin-1-yl)propan-1-amine?
2-methyl-2-(3-methylsulfanylpiperidin-1-yl)propan-1-amine has a molecular weight of 202.37 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-methylsulfanylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 127004821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).