3-[(5-cyanothiophen-2-yl)sulfonylamino]oxolane-3-carboxylic acid

C10H10N2O5S2 — CID 106265659

IUPAC3-[(5-cyanothiophen-2-yl)sulfonylamino]oxolane-3-carboxylic acid
SMILESN#Cc1ccc(S(=O)(=O)NC2(C(=O)O)CCOC2)s1
InChIInChI=1S/C10H10N2O5S2/c11-5-7-1-2-8(18-7)19(15,16)12-10(9(13)14)3-4-17-6-10/h1-2,12H,3-4,6H2,(H,13,14)
InChIKeyGRVSWJKTJQHOPM-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.14
Rot. Bonds4

About 3-[(5-cyanothiophen-2-yl)sulfonylamino]oxolane-3-carboxylic acid

3-[(5-cyanothiophen-2-yl)sulfonylamino]oxolane-3-carboxylic acid (PubChem CID 106265659) has the molecular formula C10H10N2O5S2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-[(5-cyanothiophen-2-yl)sulfonylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(5-cyanothiophen-2-yl)sulfonylamino]oxolane-3-carboxylic acid
PubChem CID106265659
Molecular FormulaC10H10N2O5S2
Molecular Weight302.33 g/mol
Exact Mass302.00
IUPAC Name3-[(5-cyanothiophen-2-yl)sulfonylamino]oxolane-3-carboxylic acid
SMILESN#Cc1ccc(S(=O)(=O)NC2(C(=O)O)CCOC2)s1
InChIInChI=1S/C10H10N2O5S2/c11-5-7-1-2-8(18-7)19(15,16)12-10(9(13)14)3-4-17-6-10/h1-2,12H,3-4,6H2,(H,13,14)
InChIKeyGRVSWJKTJQHOPM-UHFFFAOYSA-N
XLogP0.14
TPSA116.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4-cyanophenyl)sulfonylamino]oxane-4-carboxylic acid
CID 115291922
3-[(4-methoxyphenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 64888281
5-cyano-N-[(4-methyloxan-4-yl)methyl]thiophene-2-sulfonamide
CID 106269750
3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)oxolane-3-carboxylic acid
CID 64888670
3-[[4-[acetyl(methyl)amino]phenyl]sulfonylamino]oxolane-3-carboxylic acid
CID 166179457
N-(1-adamantyl)-5-cyanothiophene-2-sulfonamide
CID 106266905
(3R)-3-[[(E)-2-phenylethenyl]sulfonylamino]oxolane-3-carboxylic acid
CID 129371860
4-[(3,4-dimethylphenyl)sulfonylamino]oxane-4-carboxylic acid
CID 115291935
3-[(2-methoxy-5-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 64888666
3-(propan-2-ylsulfonylamino)oxolane-3-carboxylic acid
CID 64888098
3-(5-chloro-2-cyanoanilino)oxolane-3-carboxylic acid
CID 64889069
6-[(5-cyanothiophen-2-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 106265503

Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyanothiophen-2-yl)sulfonylamino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(5-cyanothiophen-2-yl)sulfonylamino]oxolane-3-carboxylic acid (CID 106265659) is 3-[(5-cyanothiophen-2-yl)sulfonylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(5-cyanothiophen-2-yl)sulfonylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(5-cyanothiophen-2-yl)sulfonylamino]oxolane-3-carboxylic acid is N#Cc1ccc(S(=O)(=O)NC2(C(=O)O)CCOC2)s1.
What is the InChIKey of 3-[(5-cyanothiophen-2-yl)sulfonylamino]oxolane-3-carboxylic acid?
The InChIKey is GRVSWJKTJQHOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O5S2/c11-5-7-1-2-8(18-7)19(15,16)12-10(9(13)14)3-4-17-6-10/h1-2,12H,3-4,6H2,(H,13,14).
What are the key properties of 3-[(5-cyanothiophen-2-yl)sulfonylamino]oxolane-3-carboxylic acid?
3-[(5-cyanothiophen-2-yl)sulfonylamino]oxolane-3-carboxylic acid has a molecular weight of 302.33 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-cyanothiophen-2-yl)sulfonylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 106265659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).