4-amino-N-(1-methylsulfonylpropan-2-yl)-1,2,5-oxadiazole-3-carboxamide

C7H12N4O4S — CID 64642806

IUPAC4-amino-N-(1-methylsulfonylpropan-2-yl)-1,2,5-oxadiazole-3-carboxamide
SMILESCC(CS(C)(=O)=O)NC(=O)c1nonc1N
InChIInChI=1S/C7H12N4O4S/c1-4(3-16(2,13)14)9-7(12)5-6(8)11-15-10-5/h4H,3H2,1-2H3,(H2,8,11)(H,9,12)
InChIKeyAHWMUHBBXSVIGI-UHFFFAOYSA-N
MW248.26 g/mol
LogP-1.19
Rot. Bonds4

About 4-amino-N-(1-methylsulfonylpropan-2-yl)-1,2,5-oxadiazole-3-carboxamide

4-amino-N-(1-methylsulfonylpropan-2-yl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 64642806) has the molecular formula C7H12N4O4S and a molecular weight of 248.26 g/mol. Its IUPAC name is 4-amino-N-(1-methylsulfonylpropan-2-yl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-methylsulfonylpropan-2-yl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID64642806
Molecular FormulaC7H12N4O4S
Molecular Weight248.26 g/mol
Exact Mass248.06
IUPAC Name4-amino-N-(1-methylsulfonylpropan-2-yl)-1,2,5-oxadiazole-3-carboxamide
SMILESCC(CS(C)(=O)=O)NC(=O)c1nonc1N
InChIInChI=1S/C7H12N4O4S/c1-4(3-16(2,13)14)9-7(12)5-6(8)11-15-10-5/h4H,3H2,1-2H3,(H2,8,11)(H,9,12)
InChIKeyAHWMUHBBXSVIGI-UHFFFAOYSA-N
XLogP-1.19
TPSA128.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid
CID 78991718
4-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-1,2,5-oxadiazole-3-carboxamide
CID 94548469
methyl 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-3-methylbutanoate
CID 55103863
4-amino-N-(4-phenylbutan-2-yl)-1,2,5-oxadiazole-3-carboxamide
CID 55090938
4-amino-N-(1,3-dihydroxypropan-2-yl)-1,2,5-oxadiazole-3-carboxamide
CID 65314664
4-amino-N-(4-hydroxypentyl)-1,2,5-oxadiazole-3-carboxamide
CID 106134755
4-amino-N-propylsulfonyl-1,2,5-oxadiazole-3-carboxamide
CID 103307329
3-amino-5-methyl-N-(1-methylsulfonylpropan-2-yl)-1H-pyrazole-4-carboxamide
CID 64643635
4-amino-N-(2,2-diethoxyethyl)-1,2,5-oxadiazole-3-carboxamide
CID 79548056
5-amino-N-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 64643270
4-amino-N-(dicyclopropylmethyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687641
4-amino-N-[1-(4-methylphenyl)propyl]-1,2,5-oxadiazole-3-carboxamide
CID 62687239

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-methylsulfonylpropan-2-yl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(1-methylsulfonylpropan-2-yl)-1,2,5-oxadiazole-3-carboxamide (CID 64642806) is 4-amino-N-(1-methylsulfonylpropan-2-yl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(1-methylsulfonylpropan-2-yl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(1-methylsulfonylpropan-2-yl)-1,2,5-oxadiazole-3-carboxamide is CC(CS(C)(=O)=O)NC(=O)c1nonc1N.
What is the InChIKey of 4-amino-N-(1-methylsulfonylpropan-2-yl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is AHWMUHBBXSVIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O4S/c1-4(3-16(2,13)14)9-7(12)5-6(8)11-15-10-5/h4H,3H2,1-2H3,(H2,8,11)(H,9,12).
What are the key properties of 4-amino-N-(1-methylsulfonylpropan-2-yl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(1-methylsulfonylpropan-2-yl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 248.26 g/mol, XLogP of -1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-methylsulfonylpropan-2-yl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 64642806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).