N-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]propane-1-sulfonamide

C12H24N2O3S — CID 71996832

IUPACN-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)CC(=O)N1CCC(C)CC1
InChIInChI=1S/C12H24N2O3S/c1-4-9-18(16,17)13(3)10-12(15)14-7-5-11(2)6-8-14/h11H,4-10H2,1-3H3
InChIKeyOYOGITUBMFMQGB-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.92
Rot. Bonds5

About N-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]propane-1-sulfonamide

N-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]propane-1-sulfonamide (PubChem CID 71996832) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]propane-1-sulfonamide
PubChem CID71996832
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC NameN-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)CC(=O)N1CCC(C)CC1
InChIInChI=1S/C12H24N2O3S/c1-4-9-18(16,17)13(3)10-12(15)14-7-5-11(2)6-8-14/h11H,4-10H2,1-3H3
InChIKeyOYOGITUBMFMQGB-UHFFFAOYSA-N
XLogP0.92
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Ethylsulfonylpiperazin-1-yl)-3-methylbutan-1-one
CID 719632
N-methyl-N-[2-oxo-2-(piperidin-1-yl)ethyl]methanesulfonamide
CID 30464585
N-cyclohexyl-N-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]methanesulfonamide
CID 954161
3-Methyl-1-[4-(propylsulfonyl)piperazin-1-yl]butan-1-one
CID 719646
(1-Acetylpiperidin-4-yl)methanesulfonyl chloride
CID 56828598
N-methyl-N-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]methanesulfonamide
CID 45811749
1-[4-(2-Ethylbutylsulfonyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one
CID 56789891
N,N-dimethyl-1-propylsulfonylpiperidine-4-carboxamide
CID 61383887
2-(4-ethylpiperidin-1-yl)-N-methyl-2-oxoethanesulfonamide
CID 75377512
4-[(Cyclopentylmethyl)sulfonyl]-1-ethylpiperazin-2-one
CID 127853242
N-methyl-1-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyrrolidin-2-yl]methanesulfonamide
CID 136512808
N-ethyl-N-methyl-2-[(3S)-3-methylsulfonylpiperidin-1-yl]acetamide
CID 171359376

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]propane-1-sulfonamide?
The IUPAC name of N-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]propane-1-sulfonamide (CID 71996832) is N-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]propane-1-sulfonamide.
What is the SMILES notation for N-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]propane-1-sulfonamide?
The canonical SMILES for N-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]propane-1-sulfonamide is CCCS(=O)(=O)N(C)CC(=O)N1CCC(C)CC1.
What is the InChIKey of N-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]propane-1-sulfonamide?
The InChIKey is OYOGITUBMFMQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-4-9-18(16,17)13(3)10-12(15)14-7-5-11(2)6-8-14/h11H,4-10H2,1-3H3.
What are the key properties of N-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]propane-1-sulfonamide?
N-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]propane-1-sulfonamide has a molecular weight of 276.40 g/mol, XLogP of 0.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]propane-1-sulfonamide is sourced from PubChem (CID 71996832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).