N-(3-amino-2,2-difluoropropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

C9H14F2N4O4S — CID 114383959

IUPACN-(3-amino-2,2-difluoropropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)NCC(F)(F)CN)c(=O)n(C)c1=O
InChIInChI=1S/C9H14F2N4O4S/c1-14-3-6(7(16)15(2)8(14)17)20(18,19)13-5-9(10,11)4-12/h3,13H,4-5,12H2,1-2H3
InChIKeyRDGLQYZOEVPSSM-UHFFFAOYSA-N
MW312.30 g/mol
LogP-2.04
Rot. Bonds5

About N-(3-amino-2,2-difluoropropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

N-(3-amino-2,2-difluoropropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 114383959) has the molecular formula C9H14F2N4O4S and a molecular weight of 312.30 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID114383959
Molecular FormulaC9H14F2N4O4S
Molecular Weight312.30 g/mol
Exact Mass312.07
IUPAC NameN-(3-amino-2,2-difluoropropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)NCC(F)(F)CN)c(=O)n(C)c1=O
InChIInChI=1S/C9H14F2N4O4S/c1-14-3-6(7(16)15(2)8(14)17)20(18,19)13-5-9(10,11)4-12/h3,13H,4-5,12H2,1-2H3
InChIKeyRDGLQYZOEVPSSM-UHFFFAOYSA-N
XLogP-2.04
TPSA116.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 5-2.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(3-amino-2,2-difluoropropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (CID 114383959) is N-(3-amino-2,2-difluoropropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is Cn1cc(S(=O)(=O)NCC(F)(F)CN)c(=O)n(C)c1=O.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is RDGLQYZOEVPSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4O4S/c1-14-3-6(7(16)15(2)8(14)17)20(18,19)13-5-9(10,11)4-12/h3,13H,4-5,12H2,1-2H3.
What are the key properties of N-(3-amino-2,2-difluoropropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
N-(3-amino-2,2-difluoropropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 312.30 g/mol, XLogP of -2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 114383959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).