2-[(4-amino-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide

C12H17N5O4S2 — CID 78249510

IUPAC2-[(4-amino-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
SMILESNC1CC(=O)NC(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)N1
InChIInChI=1S/C12H17N5O4S2/c13-9-5-10(18)17-12(16-9)22-6-11(19)15-7-1-3-8(4-2-7)23(14,20)21/h1-4,9,12,16H,5-6,13H2,(H,15,19)(H,17,18)(H2,14,20,21)
InChIKeyYYNTYXMNXCXLFU-UHFFFAOYSA-N
MW359.43 g/mol
LogP-1.32
Rot. Bonds5

About 2-[(4-amino-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide

2-[(4-amino-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 78249510) has the molecular formula C12H17N5O4S2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-[(4-amino-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-amino-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
PubChem CID78249510
Molecular FormulaC12H17N5O4S2
Molecular Weight359.43 g/mol
Exact Mass359.07
IUPAC Name2-[(4-amino-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
SMILESNC1CC(=O)NC(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)N1
InChIInChI=1S/C12H17N5O4S2/c13-9-5-10(18)17-12(16-9)22-6-11(19)15-7-1-3-8(4-2-7)23(14,20)21/h1-4,9,12,16H,5-6,13H2,(H,15,19)(H,17,18)(H2,14,20,21)
InChIKeyYYNTYXMNXCXLFU-UHFFFAOYSA-N
XLogP-1.32
TPSA156.41 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 5-1.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-amino-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-(1,3-benzodioxol-5-yl)acetamide
CID 78208831
ethyl 4-[[2-[(4-methyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetyl]amino]benzoate
CID 78207869
2-[(4-hydroxy-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide
CID 122363071
5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 78982828
3-cyclohexylsulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 25044457
6-amino-2-(2-naphthalen-1-yl-2-oxoethyl)sulfanyl-1,3-diazinan-4-one
CID 73264338
ethyl 4-[(3R)-2,5-dioxo-3-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylpyrrolidin-1-yl]benzoate
CID 40942774
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-oxo-6-(trifluoromethyl)-1,3-diazinan-2-yl]sulfanyl]acetamide
CID 78497147
2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
CID 2001735
2-[2-[2-(3-acetamidoanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-methylacetamide
CID 85465245
3-amino-N-(4-sulfamoylphenyl)propanamide
CID 10776616
2-naphthalen-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 2225782

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[(4-amino-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide (CID 78249510) is 2-[(4-amino-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[(4-amino-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[(4-amino-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide is NC1CC(=O)NC(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)N1.
What is the InChIKey of 2-[(4-amino-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is YYNTYXMNXCXLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O4S2/c13-9-5-10(18)17-12(16-9)22-6-11(19)15-7-1-3-8(4-2-7)23(14,20)21/h1-4,9,12,16H,5-6,13H2,(H,15,19)(H,17,18)(H2,14,20,21).
What are the key properties of 2-[(4-amino-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide?
2-[(4-amino-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 359.43 g/mol, XLogP of -1.32, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 78249510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).