2-methyl-2-methylsulfanyl-N-(piperidin-2-ylmethyl)propan-1-amine

C11H24N2S — CID 106634399

IUPAC2-methyl-2-methylsulfanyl-N-(piperidin-2-ylmethyl)propan-1-amine
SMILESCSC(C)(C)CNCC1CCCCN1
InChIInChI=1S/C11H24N2S/c1-11(2,14-3)9-12-8-10-6-4-5-7-13-10/h10,12-13H,4-9H2,1-3H3
InChIKeyAXEUIFYKLFHRSU-UHFFFAOYSA-N
MW216.39 g/mol
LogP1.86
Rot. Bonds5

About 2-methyl-2-methylsulfanyl-N-(piperidin-2-ylmethyl)propan-1-amine

2-methyl-2-methylsulfanyl-N-(piperidin-2-ylmethyl)propan-1-amine (PubChem CID 106634399) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is 2-methyl-2-methylsulfanyl-N-(piperidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-methylsulfanyl-N-(piperidin-2-ylmethyl)propan-1-amine
PubChem CID106634399
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC Name2-methyl-2-methylsulfanyl-N-(piperidin-2-ylmethyl)propan-1-amine
SMILESCSC(C)(C)CNCC1CCCCN1
InChIInChI=1S/C11H24N2S/c1-11(2,14-3)9-12-8-10-6-4-5-7-13-10/h10,12-13H,4-9H2,1-3H3
InChIKeyAXEUIFYKLFHRSU-UHFFFAOYSA-N
XLogP1.86
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-(piperidin-2-ylmethyl)propan-1-amine
CID 61167867
2-cyclobutyl-2-methyl-N-(piperidin-2-ylmethyl)propan-1-amine
CID 115209472
2,2-dimethyl-N-(piperidin-2-ylmethyl)pentan-1-amine
CID 115209445
N-(piperidin-2-ylmethyl)ethanamine
CID 11970483
N-[2-methyl-1-(piperidin-2-ylmethylamino)propan-2-yl]methanesulfonamide
CID 106633955
2-methyl-N-(piperidin-2-ylmethyl)-2-pyridin-4-ylpropan-1-amine
CID 115209463
N-(azepan-2-ylmethyl)-2,3,3-trimethylbutan-1-amine
CID 83143388
1-cyclobutyl-N-(piperidin-2-ylmethyl)methanamine
CID 106633110
2-cyclohexyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106633611
ethane;N-methyl-1-piperidin-2-ylmethanamine
CID 144727857
N'-fluoro-N-(piperidin-2-ylmethyl)butane-1,4-diamine
CID 174304939
N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine
CID 59332807

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-methylsulfanyl-N-(piperidin-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-methyl-2-methylsulfanyl-N-(piperidin-2-ylmethyl)propan-1-amine (CID 106634399) is 2-methyl-2-methylsulfanyl-N-(piperidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-2-methylsulfanyl-N-(piperidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-methyl-2-methylsulfanyl-N-(piperidin-2-ylmethyl)propan-1-amine is CSC(C)(C)CNCC1CCCCN1.
What is the InChIKey of 2-methyl-2-methylsulfanyl-N-(piperidin-2-ylmethyl)propan-1-amine?
The InChIKey is AXEUIFYKLFHRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-11(2,14-3)9-12-8-10-6-4-5-7-13-10/h10,12-13H,4-9H2,1-3H3.
What are the key properties of 2-methyl-2-methylsulfanyl-N-(piperidin-2-ylmethyl)propan-1-amine?
2-methyl-2-methylsulfanyl-N-(piperidin-2-ylmethyl)propan-1-amine has a molecular weight of 216.39 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylsulfanyl-N-(piperidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106634399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).