N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-quinolin-8-ylmethanesulfonamide

C18H23N3O3S — CID 113156666

IUPACN-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-quinolin-8-ylmethanesulfonamide
SMILESCC1CCCN(C(=O)CN(c2cccc3cccnc23)S(C)(=O)=O)C1
InChIInChI=1S/C18H23N3O3S/c1-14-6-5-11-20(12-14)17(22)13-21(25(2,23)24)16-9-3-7-15-8-4-10-19-18(15)16/h3-4,7-10,14H,5-6,11-13H2,1-2H3
InChIKeyPZCYWTSMIQHYKC-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.26
Rot. Bonds4

About N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-quinolin-8-ylmethanesulfonamide

N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-quinolin-8-ylmethanesulfonamide (PubChem CID 113156666) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-quinolin-8-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-quinolin-8-ylmethanesulfonamide
PubChem CID113156666
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-quinolin-8-ylmethanesulfonamide
SMILESCC1CCCN(C(=O)CN(c2cccc3cccnc23)S(C)(=O)=O)C1
InChIInChI=1S/C18H23N3O3S/c1-14-6-5-11-20(12-14)17(22)13-21(25(2,23)24)16-9-3-7-15-8-4-10-19-18(15)16/h3-4,7-10,14H,5-6,11-13H2,1-2H3
InChIKeyPZCYWTSMIQHYKC-UHFFFAOYSA-N
XLogP2.26
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-tert-butylphenyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113154584
N-(2,6-difluorophenyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113157617
N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 113156284
N-cyclopentyl-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide
CID 113146243
N-(2-fluorophenyl)-N-[2-(3-isoquinolin-3-ylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 110221360
N-(2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113141653
N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]acetamide
CID 113071737
N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-propan-2-yloxyphenyl)methanesulfonamide
CID 43900281
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[methyl(quinolin-8-yl)amino]ethanone
CID 124880429
N-(2-tert-butylphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113154551
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-quinolin-8-ylacetamide
CID 113178652
N-(3-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113141792

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-quinolin-8-ylmethanesulfonamide?
The IUPAC name of N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-quinolin-8-ylmethanesulfonamide (CID 113156666) is N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-quinolin-8-ylmethanesulfonamide.
What is the SMILES notation for N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-quinolin-8-ylmethanesulfonamide?
The canonical SMILES for N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-quinolin-8-ylmethanesulfonamide is CC1CCCN(C(=O)CN(c2cccc3cccnc23)S(C)(=O)=O)C1.
What is the InChIKey of N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-quinolin-8-ylmethanesulfonamide?
The InChIKey is PZCYWTSMIQHYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-14-6-5-11-20(12-14)17(22)13-21(25(2,23)24)16-9-3-7-15-8-4-10-19-18(15)16/h3-4,7-10,14H,5-6,11-13H2,1-2H3.
What are the key properties of N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-quinolin-8-ylmethanesulfonamide?
N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-quinolin-8-ylmethanesulfonamide has a molecular weight of 361.47 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-quinolin-8-ylmethanesulfonamide is sourced from PubChem (CID 113156666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).