N-[2-[3-(methylamino)piperidin-1-yl]ethyl]ethanesulfonamide;hydrochloride

C10H24ClN3O2S — CID 119920149

IUPACN-[2-[3-(methylamino)piperidin-1-yl]ethyl]ethanesulfonamide;hydrochloride
SMILESCCS(=O)(=O)NCCN1CCCC(NC)C1.Cl
InChIInChI=1S/C10H23N3O2S.ClH/c1-3-16(14,15)12-6-8-13-7-4-5-10(9-13)11-2;/h10-12H,3-9H2,1-2H3;1H
InChIKeyITBQKNSNYQRKCB-UHFFFAOYSA-N
MW285.84 g/mol
LogP0.03
Rot. Bonds6

About N-[2-[3-(methylamino)piperidin-1-yl]ethyl]ethanesulfonamide;hydrochloride

N-[2-[3-(methylamino)piperidin-1-yl]ethyl]ethanesulfonamide;hydrochloride (PubChem CID 119920149) has the molecular formula C10H24ClN3O2S and a molecular weight of 285.84 g/mol. Its IUPAC name is N-[2-[3-(methylamino)piperidin-1-yl]ethyl]ethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[3-(methylamino)piperidin-1-yl]ethyl]ethanesulfonamide;hydrochloride
PubChem CID119920149
Molecular FormulaC10H24ClN3O2S
Molecular Weight285.84 g/mol
Exact Mass285.13
IUPAC NameN-[2-[3-(methylamino)piperidin-1-yl]ethyl]ethanesulfonamide;hydrochloride
SMILESCCS(=O)(=O)NCCN1CCCC(NC)C1.Cl
InChIInChI=1S/C10H23N3O2S.ClH/c1-3-16(14,15)12-6-8-13-7-4-5-10(9-13)11-2;/h10-12H,3-9H2,1-2H3;1H
InChIKeyITBQKNSNYQRKCB-UHFFFAOYSA-N
XLogP0.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-N-methylpiperidin-3-amine
CID 62534430
N-[2-(4-aminopiperidin-1-yl)ethyl]ethanesulfonamide
CID 119908725
N-[2-(4-hydroxypiperidin-1-yl)ethyl]ethanesulfonamide
CID 111111504
1-(2-cyclohexylethyl)-N-methylpiperidin-3-amine;hydrochloride
CID 119919012
1-(2-ethylsulfanylethyl)-N-methylpiperidin-3-amine
CID 115741362
N-[2-(3-aminopiperidin-1-yl)ethyl]methanesulfonamide;hydrochloride
CID 119910084
(3S)-1-ethylsulfonyl-N-methylpiperidin-3-amine
CID 94476004
N-[2-[3-(aminomethyl)piperidin-1-yl]ethyl]methanesulfonamide;hydrochloride
CID 119915689
1-(iodomethyl)-N-methylpiperidin-3-amine
CID 89092988
methyl 2,2-dimethyl-4-[3-(methylamino)piperidin-1-yl]butanoate;hydrochloride
CID 120837971
N-cyclohexyl-3-[3-(methylamino)piperidin-1-yl]propanamide
CID 62547743
N-[1-[3-(methanesulfonamido)propyl]piperidin-3-yl]acetamide
CID 86842614

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(methylamino)piperidin-1-yl]ethyl]ethanesulfonamide;hydrochloride?
The IUPAC name of N-[2-[3-(methylamino)piperidin-1-yl]ethyl]ethanesulfonamide;hydrochloride (CID 119920149) is N-[2-[3-(methylamino)piperidin-1-yl]ethyl]ethanesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-[3-(methylamino)piperidin-1-yl]ethyl]ethanesulfonamide;hydrochloride?
The canonical SMILES for N-[2-[3-(methylamino)piperidin-1-yl]ethyl]ethanesulfonamide;hydrochloride is CCS(=O)(=O)NCCN1CCCC(NC)C1.Cl.
What is the InChIKey of N-[2-[3-(methylamino)piperidin-1-yl]ethyl]ethanesulfonamide;hydrochloride?
The InChIKey is ITBQKNSNYQRKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S.ClH/c1-3-16(14,15)12-6-8-13-7-4-5-10(9-13)11-2;/h10-12H,3-9H2,1-2H3;1H.
What are the key properties of N-[2-[3-(methylamino)piperidin-1-yl]ethyl]ethanesulfonamide;hydrochloride?
N-[2-[3-(methylamino)piperidin-1-yl]ethyl]ethanesulfonamide;hydrochloride has a molecular weight of 285.84 g/mol, XLogP of 0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(methylamino)piperidin-1-yl]ethyl]ethanesulfonamide;hydrochloride is sourced from PubChem (CID 119920149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).