N-(azetidin-3-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide;hydrochloride

C7H11ClN4O4S — CID 121208905

IUPACN-(azetidin-3-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide;hydrochloride
SMILESCl.O=c1[nH]cc(S(=O)(=O)NC2CNC2)c(=O)[nH]1
InChIInChI=1S/C7H10N4O4S.ClH/c12-6-5(3-9-7(13)10-6)16(14,15)11-4-1-8-2-4;/h3-4,8,11H,1-2H2,(H2,9,10,12,13);1H
InChIKeyOMKINVFDSZEMOX-UHFFFAOYSA-N
MW282.71 g/mol
LogP-2.26
Rot. Bonds3

About N-(azetidin-3-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide;hydrochloride

N-(azetidin-3-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide;hydrochloride (PubChem CID 121208905) has the molecular formula C7H11ClN4O4S and a molecular weight of 282.71 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide;hydrochloride
PubChem CID121208905
Molecular FormulaC7H11ClN4O4S
Molecular Weight282.71 g/mol
Exact Mass282.02
IUPAC NameN-(azetidin-3-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide;hydrochloride
SMILESCl.O=c1[nH]cc(S(=O)(=O)NC2CNC2)c(=O)[nH]1
InChIInChI=1S/C7H10N4O4S.ClH/c12-6-5(3-9-7(13)10-6)16(14,15)11-4-1-8-2-4;/h3-4,8,11H,1-2H2,(H2,9,10,12,13);1H
InChIKeyOMKINVFDSZEMOX-UHFFFAOYSA-N
XLogP-2.26
TPSA123.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.71
LogP ≤ 5-2.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxycyclohexyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 43508900
N-[(1S,2R)-2-(cycloheptylamino)cyclobutyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 56907720
5-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)sulfonyl]-1H-pyrimidine-2,4-dione
CID 66242542
2,4-dioxo-N-propyl-1H-pyrimidine-5-sulfonamide
CID 43258987
2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82763494
5-[(2R)-2-methylpiperazin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione
CID 82756475
N-[4-(hydroxymethyl)oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 106298863
5-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-1H-pyrimidine-2,4-dione
CID 7253846
5-[4-(methylaminomethyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione
CID 63249028
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 43547502
2,4-dioxo-N-(2,2,2-trifluoroethoxy)-1H-pyrimidine-5-sulfonamide
CID 82715370
N-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride
CID 119966914

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide;hydrochloride?
The IUPAC name of N-(azetidin-3-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide;hydrochloride (CID 121208905) is N-(azetidin-3-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide;hydrochloride.
What is the SMILES notation for N-(azetidin-3-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide;hydrochloride?
The canonical SMILES for N-(azetidin-3-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide;hydrochloride is Cl.O=c1[nH]cc(S(=O)(=O)NC2CNC2)c(=O)[nH]1.
What is the InChIKey of N-(azetidin-3-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide;hydrochloride?
The InChIKey is OMKINVFDSZEMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O4S.ClH/c12-6-5(3-9-7(13)10-6)16(14,15)11-4-1-8-2-4;/h3-4,8,11H,1-2H2,(H2,9,10,12,13);1H.
What are the key properties of N-(azetidin-3-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide;hydrochloride?
N-(azetidin-3-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide;hydrochloride has a molecular weight of 282.71 g/mol, XLogP of -2.26, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide;hydrochloride is sourced from PubChem (CID 121208905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).