1-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanamine

C13H27N3O2S — CID 63854362

IUPAC1-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanamine
SMILESCC(N)C1CCCN(S(=O)(=O)N2CCCCC2C)C1
InChIInChI=1S/C13H27N3O2S/c1-11-6-3-4-9-16(11)19(17,18)15-8-5-7-13(10-15)12(2)14/h11-13H,3-10,14H2,1-2H3
InChIKeyHSWQWSQZOKPTPD-UHFFFAOYSA-N
MW289.44 g/mol
LogP1.16
Rot. Bonds3

About 1-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanamine

1-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanamine (PubChem CID 63854362) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is 1-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanamine
PubChem CID63854362
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC Name1-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanamine
SMILESCC(N)C1CCCN(S(=O)(=O)N2CCCCC2C)C1
InChIInChI=1S/C13H27N3O2S/c1-11-6-3-4-9-16(11)19(17,18)15-8-5-7-13(10-15)12(2)14/h11-13H,3-10,14H2,1-2H3
InChIKeyHSWQWSQZOKPTPD-UHFFFAOYSA-N
XLogP1.16
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]ethanamine
CID 113360742
N-methyl-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714929
2-methyl-1-piperidin-1-ylsulfonylpiperidine
CID 60723774
1-(2-methylpiperidin-1-yl)sulfonylpiperidine-3-carbaldehyde
CID 55258735
1-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965380
1-[3-(2-bromoethyl)piperidin-1-yl]sulfonyl-2-methylpiperidine
CID 80673852
ethyl (3R)-1-(2-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxylate
CID 81308957
1-[1-(cyclohexylmethylsulfonyl)piperidin-3-yl]ethanamine
CID 63853138
[1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972063
1-methyl-4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-1,4-diazepane
CID 94021502
1-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)ethanamine
CID 63595516
3-(1-aminoethyl)-N,N-diethylpiperidine-1-sulfonamide
CID 63854361

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanamine?
The IUPAC name of 1-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanamine (CID 63854362) is 1-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanamine is CC(N)C1CCCN(S(=O)(=O)N2CCCCC2C)C1.
What is the InChIKey of 1-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanamine?
The InChIKey is HSWQWSQZOKPTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-11-6-3-4-9-16(11)19(17,18)15-8-5-7-13(10-15)12(2)14/h11-13H,3-10,14H2,1-2H3.
What are the key properties of 1-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanamine?
1-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanamine has a molecular weight of 289.44 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanamine is sourced from PubChem (CID 63854362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).