N-(2-amino-1-cyclopropylethyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide

C13H16N4O4S — CID 119986757

IUPACN-(2-amino-1-cyclopropylethyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide
SMILESNCC(NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)C1CC1
InChIInChI=1S/C13H16N4O4S/c14-6-11(7-1-2-7)17-22(20,21)8-3-4-10-9(5-8)12(18)16-13(19)15-10/h3-5,7,11,17H,1-2,6,14H2,(H2,15,16,18,19)
InChIKeyWBIUOQQGQOXMLZ-UHFFFAOYSA-N
MW324.36 g/mol
LogP-0.77
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide

N-(2-amino-1-cyclopropylethyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide (PubChem CID 119986757) has the molecular formula C13H16N4O4S and a molecular weight of 324.36 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide
PubChem CID119986757
Molecular FormulaC13H16N4O4S
Molecular Weight324.36 g/mol
Exact Mass324.09
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide
SMILESNCC(NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)C1CC1
InChIInChI=1S/C13H16N4O4S/c14-6-11(7-1-2-7)17-22(20,21)8-3-4-10-9(5-8)12(18)16-13(19)15-10/h3-5,7,11,17H,1-2,6,14H2,(H2,15,16,18,19)
InChIKeyWBIUOQQGQOXMLZ-UHFFFAOYSA-N
XLogP-0.77
TPSA137.91 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 5-0.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-(2-amino-1-cyclopropylethyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide with MolForge

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride
CID 119986756
N-(5-methylhexan-2-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 134034377
N-cyclopentyl-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 134034344
N-(2-amino-1-cyclopropylethyl)-3,4-dimethylbenzenesulfonamide;hydrochloride
CID 119986951
N-(2-amino-1-cyclopropylethyl)-2-methyl-1,3-dioxoisoindole-5-sulfonamide;hydrochloride
CID 119986962
N-(2-amino-1-cyclopropylethyl)naphthalene-2-sulfonamide
CID 65188771
N-(2-amino-1-cyclopropylethyl)-3-chloro-4-methylbenzenesulfonamide
CID 119986768
N-(2-amino-1-cyclopropylethyl)-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 65189183
N-(2-amino-1-cyclopropylethyl)-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 119986612
4-N-(2-amino-1-cyclopropylethyl)-1-N-cyclopropylbenzene-1,4-disulfonamide
CID 119986909
N-(2-amino-1-cyclopropylethyl)-4-tert-butylbenzenesulfonamide
CID 65188828
N-[2-(methylamino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride
CID 120825205

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide (CID 119986757) is N-(2-amino-1-cyclopropylethyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide is NCC(NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The InChIKey is WBIUOQQGQOXMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4S/c14-6-11(7-1-2-7)17-22(20,21)8-3-4-10-9(5-8)12(18)16-13(19)15-10/h3-5,7,11,17H,1-2,6,14H2,(H2,15,16,18,19).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide?
N-(2-amino-1-cyclopropylethyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide has a molecular weight of 324.36 g/mol, XLogP of -0.77, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide is sourced from PubChem (CID 119986757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).