2-methylsulfonyl-N-(piperidin-2-ylmethyl)ethanamine

C9H20N2O2S — CID 84686147

IUPAC2-methylsulfonyl-N-(piperidin-2-ylmethyl)ethanamine
SMILESCS(=O)(=O)CCNCC1CCCCN1
InChIInChI=1S/C9H20N2O2S/c1-14(12,13)7-6-10-8-9-4-2-3-5-11-9/h9-11H,2-8H2,1H3
InChIKeyHQJABRNBMBNNJB-UHFFFAOYSA-N
MW220.34 g/mol
LogP-0.24
Rot. Bonds5

About 2-methylsulfonyl-N-(piperidin-2-ylmethyl)ethanamine

2-methylsulfonyl-N-(piperidin-2-ylmethyl)ethanamine (PubChem CID 84686147) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 2-methylsulfonyl-N-(piperidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-methylsulfonyl-N-(piperidin-2-ylmethyl)ethanamine
PubChem CID84686147
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name2-methylsulfonyl-N-(piperidin-2-ylmethyl)ethanamine
SMILESCS(=O)(=O)CCNCC1CCCCN1
InChIInChI=1S/C9H20N2O2S/c1-14(12,13)7-6-10-8-9-4-2-3-5-11-9/h9-11H,2-8H2,1H3
InChIKeyHQJABRNBMBNNJB-UHFFFAOYSA-N
XLogP-0.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106638054
N-methyl-2-(piperidin-2-ylmethylamino)ethanesulfonamide
CID 106333681
2-(piperidin-2-ylmethylamino)ethanesulfonamide
CID 106633143
2-methylsulfonyl-N-(piperidin-2-ylmethyl)ethanesulfonamide
CID 63245222
2-(pyrrolidin-2-ylmethylamino)ethanesulfonamide
CID 106636953
1-(azepan-2-yl)-N-(2-methylsulfonylethyl)propan-2-amine
CID 79560223
N-(piperidin-2-ylmethyl)ethanamine
CID 11970483
N-[2-methyl-1-(piperidin-2-ylmethylamino)propan-2-yl]methanesulfonamide
CID 106633955
N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 59418450
3-(piperidin-2-ylmethylamino)propan-1-ol
CID 106633028
2-cyclohexyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106633611
N-(azepan-2-ylmethyl)octan-1-amine
CID 115568709

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-(piperidin-2-ylmethyl)ethanamine?
The IUPAC name of 2-methylsulfonyl-N-(piperidin-2-ylmethyl)ethanamine (CID 84686147) is 2-methylsulfonyl-N-(piperidin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-methylsulfonyl-N-(piperidin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-methylsulfonyl-N-(piperidin-2-ylmethyl)ethanamine is CS(=O)(=O)CCNCC1CCCCN1.
What is the InChIKey of 2-methylsulfonyl-N-(piperidin-2-ylmethyl)ethanamine?
The InChIKey is HQJABRNBMBNNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-14(12,13)7-6-10-8-9-4-2-3-5-11-9/h9-11H,2-8H2,1H3.
What are the key properties of 2-methylsulfonyl-N-(piperidin-2-ylmethyl)ethanamine?
2-methylsulfonyl-N-(piperidin-2-ylmethyl)ethanamine has a molecular weight of 220.34 g/mol, XLogP of -0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-(piperidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 84686147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).