2-[methyl(piperidin-4-yl)amino]ethanesulfonamide

C8H19N3O2S — CID 114385433

IUPAC2-[methyl(piperidin-4-yl)amino]ethanesulfonamide
SMILESCN(CCS(N)(=O)=O)C1CCNCC1
InChIInChI=1S/C8H19N3O2S/c1-11(6-7-14(9,12)13)8-2-4-10-5-3-8/h8,10H,2-7H2,1H3,(H2,9,12,13)
InChIKeyFKDBYGRKUIUTAH-UHFFFAOYSA-N
MW221.33 g/mol
LogP-1.04
Rot. Bonds4

About 2-[methyl(piperidin-4-yl)amino]ethanesulfonamide

2-[methyl(piperidin-4-yl)amino]ethanesulfonamide (PubChem CID 114385433) has the molecular formula C8H19N3O2S and a molecular weight of 221.33 g/mol. Its IUPAC name is 2-[methyl(piperidin-4-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[methyl(piperidin-4-yl)amino]ethanesulfonamide
PubChem CID114385433
Molecular FormulaC8H19N3O2S
Molecular Weight221.33 g/mol
Exact Mass221.12
IUPAC Name2-[methyl(piperidin-4-yl)amino]ethanesulfonamide
SMILESCN(CCS(N)(=O)=O)C1CCNCC1
InChIInChI=1S/C8H19N3O2S/c1-11(6-7-14(9,12)13)8-2-4-10-5-3-8/h8,10H,2-7H2,1H3,(H2,9,12,13)
InChIKeyFKDBYGRKUIUTAH-UHFFFAOYSA-N
XLogP-1.04
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-dimethyl-N,N'-di(piperidin-4-yl)ethane-1,2-diamine;tetrahydrochloride
CID 18770418
2-[[4-(ethylamino)cyclohexyl]-methylamino]ethanesulfonamide
CID 114384646
N-methyl-N-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 64567145
3-[(4,4-dimethylcyclohexyl)-methylamino]propane-1-sulfonamide
CID 112698301
3-[methyl(piperidin-4-yl)amino]propan-1-ol
CID 12019499
N-butyl-N-methylpiperidin-4-amine;dihydrochloride
CID 53410849
4-N-(2-ethylsulfonylethyl)-4-N-methylcyclohexane-1,4-diamine
CID 79121429
N-methyl-N-piperidin-4-ylethanesulfonamide
CID 43606907
N-methyl-N-(4,4,4-trifluorobutyl)piperidin-4-amine
CID 115514843
N-methyl-N-(3-methylpentyl)piperidin-4-amine
CID 139366215
ethyl N-[2-[methyl(piperidin-4-yl)amino]acetyl]carbamate
CID 43607361
methyl 2,2-dimethyl-4-[methyl(piperidin-4-yl)amino]butanoate;hydrochloride
CID 120835310

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(piperidin-4-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[methyl(piperidin-4-yl)amino]ethanesulfonamide (CID 114385433) is 2-[methyl(piperidin-4-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[methyl(piperidin-4-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[methyl(piperidin-4-yl)amino]ethanesulfonamide is CN(CCS(N)(=O)=O)C1CCNCC1.
What is the InChIKey of 2-[methyl(piperidin-4-yl)amino]ethanesulfonamide?
The InChIKey is FKDBYGRKUIUTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S/c1-11(6-7-14(9,12)13)8-2-4-10-5-3-8/h8,10H,2-7H2,1H3,(H2,9,12,13).
What are the key properties of 2-[methyl(piperidin-4-yl)amino]ethanesulfonamide?
2-[methyl(piperidin-4-yl)amino]ethanesulfonamide has a molecular weight of 221.33 g/mol, XLogP of -1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(piperidin-4-yl)amino]ethanesulfonamide is sourced from PubChem (CID 114385433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).