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

C9H20N2O2S — CID 58035050

IUPACN-methyl-N-(1-methylpiperidin-4-yl)ethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1CCN(C)CC1
InChIInChI=1S/C9H20N2O2S/c1-4-14(12,13)11(3)9-5-7-10(2)8-6-9/h9H,4-8H2,1-3H3
InChIKeyLKAZQPRBLKUCSD-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.36
Rot. Bonds3

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

N-methyl-N-(1-methylpiperidin-4-yl)ethanesulfonamide (PubChem CID 58035050) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-4-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-4-yl)ethanesulfonamide
PubChem CID58035050
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC NameN-methyl-N-(1-methylpiperidin-4-yl)ethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1CCN(C)CC1
InChIInChI=1S/C9H20N2O2S/c1-4-14(12,13)11(3)9-5-7-10(2)8-6-9/h9H,4-8H2,1-3H3
InChIKeyLKAZQPRBLKUCSD-UHFFFAOYSA-N
XLogP0.36
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)ethanesulfonamide?
The IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)ethanesulfonamide (CID 58035050) is N-methyl-N-(1-methylpiperidin-4-yl)ethanesulfonamide.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-4-yl)ethanesulfonamide?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-4-yl)ethanesulfonamide is CCS(=O)(=O)N(C)C1CCN(C)CC1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-4-yl)ethanesulfonamide?
The InChIKey is LKAZQPRBLKUCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-4-14(12,13)11(3)9-5-7-10(2)8-6-9/h9H,4-8H2,1-3H3.
What are the key properties of N-methyl-N-(1-methylpiperidin-4-yl)ethanesulfonamide?
N-methyl-N-(1-methylpiperidin-4-yl)ethanesulfonamide has a molecular weight of 220.34 g/mol, XLogP of 0.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-4-yl)ethanesulfonamide is sourced from PubChem (CID 58035050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).