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

C13H28ClN3O2S — CID 119965380

IUPAC1-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCCCN1S(=O)(=O)N1CCCCC1C.Cl
InChIInChI=1S/C13H27N3O2S.ClH/c1-11-7-3-5-9-15(11)19(17,18)16-10-6-4-8-13(16)12(2)14;/h11-13H,3-10,14H2,1-2H3;1H
InChIKeyQBNMTDKTJZIVLH-UHFFFAOYSA-N
MW325.91 g/mol
LogP1.73
Rot. Bonds3

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

1-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride (PubChem CID 119965380) has the molecular formula C13H28ClN3O2S and a molecular weight of 325.91 g/mol. Its IUPAC name is 1-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
PubChem CID119965380
Molecular FormulaC13H28ClN3O2S
Molecular Weight325.91 g/mol
Exact Mass325.16
IUPAC Name1-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCCCN1S(=O)(=O)N1CCCCC1C.Cl
InChIInChI=1S/C13H27N3O2S.ClH/c1-11-7-3-5-9-15(11)19(17,18)16-10-6-4-8-13(16)12(2)14;/h11-13H,3-10,14H2,1-2H3;1H
InChIKeyQBNMTDKTJZIVLH-UHFFFAOYSA-N
XLogP1.73
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.91
LogP ≤ 51.73
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
1-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanamine
CID 63854362
2-(1-aminoethyl)-N-ethyl-N-methylpiperidine-1-sulfonamide;hydrochloride
CID 119965247
2-methyl-1-propan-2-ylsulfonylpiperidine
CID 59266035
2-methyl-1-piperidin-1-ylsulfonylpiperidine
CID 60723774
2-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]ethanamine
CID 55241014
1-[1-(oxan-3-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride
CID 120999650
1-[1-(1,1-dioxothian-4-yl)sulfonylpiperidin-2-yl]ethanamine
CID 63255342
[3-methyl-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119984879
1-(2-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid
CID 43210809
(2S)-2-methylpiperidine-1-sulfonyl chloride
CID 98117610
2-methyl-1-(2-methylpiperidin-1-yl)sulfonylpiperazine
CID 62671714

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride (CID 119965380) is 1-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride is CC(N)C1CCCCN1S(=O)(=O)N1CCCCC1C.Cl.
What is the InChIKey of 1-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride?
The InChIKey is QBNMTDKTJZIVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S.ClH/c1-11-7-3-5-9-15(11)19(17,18)16-10-6-4-8-13(16)12(2)14;/h11-13H,3-10,14H2,1-2H3;1H.
What are the key properties of 1-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride?
1-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride has a molecular weight of 325.91 g/mol, XLogP of 1.73, 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-2-yl]ethanamine;hydrochloride is sourced from PubChem (CID 119965380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).