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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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).