N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-4-methyl-2-oxo-1H-quinoline-6-sulfonamide

C18H25N3O4S — CID 131942720

IUPACN-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-4-methyl-2-oxo-1H-quinoline-6-sulfonamide
SMILESCc1cc(=O)[nH]c2ccc(S(=O)(=O)NCCN3CCCCC3CO)cc12
InChIInChI=1S/C18H25N3O4S/c1-13-10-18(23)20-17-6-5-15(11-16(13)17)26(24,25)19-7-9-21-8-3-2-4-14(21)12-22/h5-6,10-11,14,19,22H,2-4,7-9,12H2,1H3,(H,20,23)
InChIKeyBMUJCUKBSWASIA-UHFFFAOYSA-N
MW379.48 g/mol
LogP0.96
Rot. Bonds6

About N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-4-methyl-2-oxo-1H-quinoline-6-sulfonamide

N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-4-methyl-2-oxo-1H-quinoline-6-sulfonamide (PubChem CID 131942720) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-4-methyl-2-oxo-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-4-methyl-2-oxo-1H-quinoline-6-sulfonamide
PubChem CID131942720
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC NameN-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-4-methyl-2-oxo-1H-quinoline-6-sulfonamide
SMILESCc1cc(=O)[nH]c2ccc(S(=O)(=O)NCCN3CCCCC3CO)cc12
InChIInChI=1S/C18H25N3O4S/c1-13-10-18(23)20-17-6-5-15(11-16(13)17)26(24,25)19-7-9-21-8-3-2-4-14(21)12-22/h5-6,10-11,14,19,22H,2-4,7-9,12H2,1H3,(H,20,23)
InChIKeyBMUJCUKBSWASIA-UHFFFAOYSA-N
XLogP0.96
TPSA102.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-4-methyl-2-oxo-1H-quinoline-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methyl-5-pyrazol-1-ylbenzenesulfonamide
CID 131924296
4-methyl-2-oxo-N-phenyl-1H-quinoline-6-sulfonamide
CID 16804856
5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]thiophene-2-sulfonamide;hydrochloride
CID 71082906
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-6-methyl-4-oxo-1H-pyridine-2-carboxamide
CID 121497077
6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
CID 124964528
3-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-5-methyl-2H-isoquinolin-1-one
CID 10357458
4-[2-[(2R)-2-methylpiperidin-1-yl]ethylsulfamoyl]benzamide
CID 94182162
N-[3-(azepan-1-yl)propyl]-2-oxo-1H-quinoline-6-sulfonamide
CID 22548591
1-(4,7-dimethyl-2-oxochromen-6-yl)-3-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]urea
CID 125158157
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 4889482
6-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylcyclohexyl)-2-oxo-1H-quinoline-4-carboxamide
CID 5323312
[1-[2-(propylamino)ethyl]azepan-2-yl]methanol
CID 116637143

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-4-methyl-2-oxo-1H-quinoline-6-sulfonamide?
The IUPAC name of N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-4-methyl-2-oxo-1H-quinoline-6-sulfonamide (CID 131942720) is N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-4-methyl-2-oxo-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-4-methyl-2-oxo-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-4-methyl-2-oxo-1H-quinoline-6-sulfonamide is Cc1cc(=O)[nH]c2ccc(S(=O)(=O)NCCN3CCCCC3CO)cc12.
What is the InChIKey of N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-4-methyl-2-oxo-1H-quinoline-6-sulfonamide?
The InChIKey is BMUJCUKBSWASIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-13-10-18(23)20-17-6-5-15(11-16(13)17)26(24,25)19-7-9-21-8-3-2-4-14(21)12-22/h5-6,10-11,14,19,22H,2-4,7-9,12H2,1H3,(H,20,23).
What are the key properties of N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-4-methyl-2-oxo-1H-quinoline-6-sulfonamide?
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-4-methyl-2-oxo-1H-quinoline-6-sulfonamide has a molecular weight of 379.48 g/mol, XLogP of 0.96, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-4-methyl-2-oxo-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 131942720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).