N,N-dimethyl-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide

C16H24N2O3S — CID 110674517

IUPACN,N-dimethyl-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESCC1CCCN(C(=O)Cc2ccc(S(=O)(=O)N(C)C)cc2)C1
InChIInChI=1S/C16H24N2O3S/c1-13-5-4-10-18(12-13)16(19)11-14-6-8-15(9-7-14)22(20,21)17(2)3/h6-9,13H,4-5,10-12H2,1-3H3
InChIKeyUGZFQJMNYFHOBV-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.74
Rot. Bonds4

About N,N-dimethyl-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide

N,N-dimethyl-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide (PubChem CID 110674517) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
PubChem CID110674517
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN,N-dimethyl-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESCC1CCCN(C(=O)Cc2ccc(S(=O)(=O)N(C)C)cc2)C1
InChIInChI=1S/C16H24N2O3S/c1-13-5-4-10-18(12-13)16(19)11-14-6-8-15(9-7-14)22(20,21)17(2)3/h6-9,13H,4-5,10-12H2,1-3H3
InChIKeyUGZFQJMNYFHOBV-UHFFFAOYSA-N
XLogP1.74
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 2915380
2-(4-bromophenyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 875891
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860
2-(3,4-dimethylphenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110766864
2-(2,3-dihydro-1H-inden-5-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110767307
1-[3-(methoxymethyl)piperidin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone
CID 90504874
1-(3-methylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone
CID 110769174
2-(3,4-dihydro-2H-chromen-6-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110771158
2-[4-(aminomethyl)phenyl]-1-(3-methylpyrrolidin-1-yl)ethanone
CID 63590667
N-methyl-N-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 51884778
2-(4-chlorophenyl)sulfonyl-1-(3-methylpiperidin-1-yl)ethanone
CID 112779660
4-[2-(4-methylazepan-1-yl)-2-oxoethyl]benzonitrile
CID 62403502

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide (CID 110674517) is N,N-dimethyl-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide is CC1CCCN(C(=O)Cc2ccc(S(=O)(=O)N(C)C)cc2)C1.
What is the InChIKey of N,N-dimethyl-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide?
The InChIKey is UGZFQJMNYFHOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-13-5-4-10-18(12-13)16(19)11-14-6-8-15(9-7-14)22(20,21)17(2)3/h6-9,13H,4-5,10-12H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide?
N,N-dimethyl-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide has a molecular weight of 324.45 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 110674517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).