N-(1-methylpiperidin-4-yl)ethanesulfonamide

C8H18N2O2S — CID 22772546

IUPACN-(1-methylpiperidin-4-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(C)CC1
InChIInChI=1S/C8H18N2O2S/c1-3-13(11,12)9-8-4-6-10(2)7-5-8/h8-9H,3-7H2,1-2H3
InChIKeyIHNKZOYVHDIXMF-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.02
Rot. Bonds3

About N-(1-methylpiperidin-4-yl)ethanesulfonamide

N-(1-methylpiperidin-4-yl)ethanesulfonamide (PubChem CID 22772546) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)ethanesulfonamide
PubChem CID22772546
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC NameN-(1-methylpiperidin-4-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(C)CC1
InChIInChI=1S/C8H18N2O2S/c1-3-13(11,12)9-8-4-6-10(2)7-5-8/h8-9H,3-7H2,1-2H3
InChIKeyIHNKZOYVHDIXMF-UHFFFAOYSA-N
XLogP0.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)ethanesulfonamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)ethanesulfonamide (CID 22772546) is N-(1-methylpiperidin-4-yl)ethanesulfonamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)ethanesulfonamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)ethanesulfonamide is CCS(=O)(=O)NC1CCN(C)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)ethanesulfonamide?
The InChIKey is IHNKZOYVHDIXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-3-13(11,12)9-8-4-6-10(2)7-5-8/h8-9H,3-7H2,1-2H3.
What are the key properties of N-(1-methylpiperidin-4-yl)ethanesulfonamide?
N-(1-methylpiperidin-4-yl)ethanesulfonamide has a molecular weight of 206.31 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)ethanesulfonamide is sourced from PubChem (CID 22772546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).