N-(2-methylpiperidin-3-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride

C14H19ClN4O4S — CID 120726601

IUPACN-(2-methylpiperidin-3-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride
SMILESCC1NCCCC1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1.Cl
InChIInChI=1S/C14H18N4O4S.ClH/c1-8-11(3-2-6-15-8)18-23(21,22)9-4-5-12-10(7-9)13(19)17-14(20)16-12;/h4-5,7-8,11,15,18H,2-3,6H2,1H3,(H2,16,17,19,20);1H
InChIKeyROTPDWTUYZFSDW-UHFFFAOYSA-N
MW374.85 g/mol
LogP0.06
Rot. Bonds3

About N-(2-methylpiperidin-3-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride

N-(2-methylpiperidin-3-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride (PubChem CID 120726601) has the molecular formula C14H19ClN4O4S and a molecular weight of 374.85 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride
PubChem CID120726601
Molecular FormulaC14H19ClN4O4S
Molecular Weight374.85 g/mol
Exact Mass374.08
IUPAC NameN-(2-methylpiperidin-3-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride
SMILESCC1NCCCC1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1.Cl
InChIInChI=1S/C14H18N4O4S.ClH/c1-8-11(3-2-6-15-8)18-23(21,22)9-4-5-12-10(7-9)13(19)17-14(20)16-12;/h4-5,7-8,11,15,18H,2-3,6H2,1H3,(H2,16,17,19,20);1H
InChIKeyROTPDWTUYZFSDW-UHFFFAOYSA-N
XLogP0.06
TPSA123.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 50.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpiperidin-3-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 120726602
N-cyclopentyl-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 134034344
3,4-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79044055
4-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726682
2-methyl-N-(2-methylpiperidin-3-yl)-1,3-dioxoisoindole-5-sulfonamide;hydrochloride
CID 120726485
3,4-difluoro-N-[(2S,3S)-2-methylpiperidin-3-yl]benzenesulfonamide
CID 124515718
4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79043193
4-methyl-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120726129
3,5-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695181
1-N-cyclopropyl-3-N-(2-methylpiperidin-3-yl)benzene-1,3-disulfonamide
CID 120726415
3-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79043800
N-[2-bromo-4-[(2-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide;hydrochloride
CID 120726813

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-3-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride (CID 120726601) is N-(2-methylpiperidin-3-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride is CC1NCCCC1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1.Cl.
What is the InChIKey of N-(2-methylpiperidin-3-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride?
The InChIKey is ROTPDWTUYZFSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4S.ClH/c1-8-11(3-2-6-15-8)18-23(21,22)9-4-5-12-10(7-9)13(19)17-14(20)16-12;/h4-5,7-8,11,15,18H,2-3,6H2,1H3,(H2,16,17,19,20);1H.
What are the key properties of N-(2-methylpiperidin-3-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride?
N-(2-methylpiperidin-3-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride has a molecular weight of 374.85 g/mol, XLogP of 0.06, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride is sourced from PubChem (CID 120726601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).