2-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]ethanamine

C13H27N3O2S — CID 55241014

IUPAC2-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]ethanamine
SMILESCC1CCCCN1S(=O)(=O)N1CCCCC1CCN
InChIInChI=1S/C13H27N3O2S/c1-12-6-2-4-10-15(12)19(17,18)16-11-5-3-7-13(16)8-9-14/h12-13H,2-11,14H2,1H3
InChIKeyWTOSADGSFWJMJP-UHFFFAOYSA-N
MW289.44 g/mol
LogP1.31
Rot. Bonds4

About 2-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]ethanamine

2-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]ethanamine (PubChem CID 55241014) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is 2-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]ethanamine
PubChem CID55241014
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC Name2-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]ethanamine
SMILESCC1CCCCN1S(=O)(=O)N1CCCCC1CCN
InChIInChI=1S/C13H27N3O2S/c1-12-6-2-4-10-15(12)19(17,18)16-11-5-3-7-13(16)8-9-14/h12-13H,2-11,14H2,1H3
InChIKeyWTOSADGSFWJMJP-UHFFFAOYSA-N
XLogP1.31
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-chloropropyl)pyrrolidin-1-yl]sulfonyl-2-methylpiperidine
CID 63400591
4-(2-methylpiperidin-1-yl)sulfonylbutan-1-amine
CID 61456479
[3-methyl-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119984879
2-(1-butylsulfonylpiperidin-2-yl)ethanamine
CID 63767348
2-methyl-1-piperidin-1-ylsulfonylpiperidine
CID 60723774
1-(2-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid
CID 43210809
1-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965380
[1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972063
(2S)-2-methylpiperidine-1-sulfonyl chloride
CID 98117610
2-methyl-1-(2-methylpiperidin-1-yl)sulfonylpiperazine
CID 62671714
1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 43210782
N-(3-aminopropyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide
CID 43136957

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]ethanamine?
The IUPAC name of 2-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]ethanamine (CID 55241014) is 2-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]ethanamine.
What is the SMILES notation for 2-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]ethanamine?
The canonical SMILES for 2-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]ethanamine is CC1CCCCN1S(=O)(=O)N1CCCCC1CCN.
What is the InChIKey of 2-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]ethanamine?
The InChIKey is WTOSADGSFWJMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-12-6-2-4-10-15(12)19(17,18)16-11-5-3-7-13(16)8-9-14/h12-13H,2-11,14H2,1H3.
What are the key properties of 2-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]ethanamine?
2-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]ethanamine has a molecular weight of 289.44 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]ethanamine is sourced from PubChem (CID 55241014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).