3-amino-5-methyl-N-[(3S)-3-methyloxan-3-yl]-1,2-oxazole-4-sulfonamide

C10H17N3O4S — CID 129345187

IUPAC3-amino-5-methyl-N-[(3S)-3-methyloxan-3-yl]-1,2-oxazole-4-sulfonamide
SMILESCc1onc(N)c1S(=O)(=O)N[C@@]1(C)CCCOC1
InChIInChI=1S/C10H17N3O4S/c1-7-8(9(11)12-17-7)18(14,15)13-10(2)4-3-5-16-6-10/h13H,3-6H2,1-2H3,(H2,11,12)/t10-/m0/s1
InChIKeyWXUHSSQRGQBMSN-JTQLQIEISA-N
MW275.33 g/mol
LogP0.41
Rot. Bonds3

About 3-amino-5-methyl-N-[(3S)-3-methyloxan-3-yl]-1,2-oxazole-4-sulfonamide

3-amino-5-methyl-N-[(3S)-3-methyloxan-3-yl]-1,2-oxazole-4-sulfonamide (PubChem CID 129345187) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is 3-amino-5-methyl-N-[(3S)-3-methyloxan-3-yl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-5-methyl-N-[(3S)-3-methyloxan-3-yl]-1,2-oxazole-4-sulfonamide
PubChem CID129345187
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Name3-amino-5-methyl-N-[(3S)-3-methyloxan-3-yl]-1,2-oxazole-4-sulfonamide
SMILESCc1onc(N)c1S(=O)(=O)N[C@@]1(C)CCCOC1
InChIInChI=1S/C10H17N3O4S/c1-7-8(9(11)12-17-7)18(14,15)13-10(2)4-3-5-16-6-10/h13H,3-6H2,1-2H3,(H2,11,12)/t10-/m0/s1
InChIKeyWXUHSSQRGQBMSN-JTQLQIEISA-N
XLogP0.41
TPSA107.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methyloxan-3-yl)benzenesulfonamide
CID 103896537
3,6-difluoro-2-methoxy-N-(3-methyloxan-3-yl)benzenesulfonamide
CID 166272026
2-chloro-N-(3-methyloxan-3-yl)pyridine-4-sulfonamide
CID 114113555
4-[(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)sulfonyl]-5-methyl-1,2-oxazol-3-amine
CID 139002985
3-amino-5-methyl-N-[[(8S)-5-oxaspiro[3.5]nonan-8-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 129347651
2-(aminomethyl)-4-methyl-N-(3-methyloxolan-3-yl)thiophene-3-sulfonamide
CID 102754843
2-amino-5-chloro-N-(3-methyloxolan-3-yl)pyridine-3-sulfonamide
CID 146122745
4-bromo-2-chloro-N-(3-methyloxan-3-yl)benzenesulfonamide
CID 103896531
4-(ethylamino)-2,6-dimethyl-N-(3-methyloxolan-3-yl)benzenesulfonamide
CID 107329156
2-amino-4-methyl-N-(3-methyloxolan-3-yl)-1,3-thiazole-5-sulfonamide
CID 113482141
3-cyano-N-(3-methyloxan-3-yl)benzenesulfonamide
CID 103896523
5-methyl-4-[(3-methyloxolan-3-yl)sulfamoyl]-1H-pyrazole-3-carboxylic acid
CID 113481928

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-N-[(3S)-3-methyloxan-3-yl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3-amino-5-methyl-N-[(3S)-3-methyloxan-3-yl]-1,2-oxazole-4-sulfonamide (CID 129345187) is 3-amino-5-methyl-N-[(3S)-3-methyloxan-3-yl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3-amino-5-methyl-N-[(3S)-3-methyloxan-3-yl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3-amino-5-methyl-N-[(3S)-3-methyloxan-3-yl]-1,2-oxazole-4-sulfonamide is Cc1onc(N)c1S(=O)(=O)N[C@@]1(C)CCCOC1.
What is the InChIKey of 3-amino-5-methyl-N-[(3S)-3-methyloxan-3-yl]-1,2-oxazole-4-sulfonamide?
The InChIKey is WXUHSSQRGQBMSN-JTQLQIEISA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-7-8(9(11)12-17-7)18(14,15)13-10(2)4-3-5-16-6-10/h13H,3-6H2,1-2H3,(H2,11,12)/t10-/m0/s1.
What are the key properties of 3-amino-5-methyl-N-[(3S)-3-methyloxan-3-yl]-1,2-oxazole-4-sulfonamide?
3-amino-5-methyl-N-[(3S)-3-methyloxan-3-yl]-1,2-oxazole-4-sulfonamide has a molecular weight of 275.33 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-N-[(3S)-3-methyloxan-3-yl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 129345187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).