4-methyl-3-(propan-2-yloxycarbonylsulfamoylamino)thiophene-2-carboxylic acid

C10H14N2O6S2 — CID 114915175

IUPAC4-methyl-3-(propan-2-yloxycarbonylsulfamoylamino)thiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1NS(=O)(=O)NC(=O)OC(C)C
InChIInChI=1S/C10H14N2O6S2/c1-5(2)18-10(15)12-20(16,17)11-7-6(3)4-19-8(7)9(13)14/h4-5,11H,1-3H3,(H,12,15)(H,13,14)
InChIKeyHCJZNXORQMIOAL-UHFFFAOYSA-N
MW322.36 g/mol
LogP1.55
Rot. Bonds5

About 4-methyl-3-(propan-2-yloxycarbonylsulfamoylamino)thiophene-2-carboxylic acid

4-methyl-3-(propan-2-yloxycarbonylsulfamoylamino)thiophene-2-carboxylic acid (PubChem CID 114915175) has the molecular formula C10H14N2O6S2 and a molecular weight of 322.36 g/mol. Its IUPAC name is 4-methyl-3-(propan-2-yloxycarbonylsulfamoylamino)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-3-(propan-2-yloxycarbonylsulfamoylamino)thiophene-2-carboxylic acid
PubChem CID114915175
Molecular FormulaC10H14N2O6S2
Molecular Weight322.36 g/mol
Exact Mass322.03
IUPAC Name4-methyl-3-(propan-2-yloxycarbonylsulfamoylamino)thiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1NS(=O)(=O)NC(=O)OC(C)C
InChIInChI=1S/C10H14N2O6S2/c1-5(2)18-10(15)12-20(16,17)11-7-6(3)4-19-8(7)9(13)14/h4-5,11H,1-3H3,(H,12,15)(H,13,14)
InChIKeyHCJZNXORQMIOAL-UHFFFAOYSA-N
XLogP1.55
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(propan-2-yloxycarbonylsulfamoylamino)thiophene-2-carboxylic acid?
The IUPAC name of 4-methyl-3-(propan-2-yloxycarbonylsulfamoylamino)thiophene-2-carboxylic acid (CID 114915175) is 4-methyl-3-(propan-2-yloxycarbonylsulfamoylamino)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-methyl-3-(propan-2-yloxycarbonylsulfamoylamino)thiophene-2-carboxylic acid?
The canonical SMILES for 4-methyl-3-(propan-2-yloxycarbonylsulfamoylamino)thiophene-2-carboxylic acid is Cc1csc(C(=O)O)c1NS(=O)(=O)NC(=O)OC(C)C.
What is the InChIKey of 4-methyl-3-(propan-2-yloxycarbonylsulfamoylamino)thiophene-2-carboxylic acid?
The InChIKey is HCJZNXORQMIOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O6S2/c1-5(2)18-10(15)12-20(16,17)11-7-6(3)4-19-8(7)9(13)14/h4-5,11H,1-3H3,(H,12,15)(H,13,14).
What are the key properties of 4-methyl-3-(propan-2-yloxycarbonylsulfamoylamino)thiophene-2-carboxylic acid?
4-methyl-3-(propan-2-yloxycarbonylsulfamoylamino)thiophene-2-carboxylic acid has a molecular weight of 322.36 g/mol, XLogP of 1.55, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(propan-2-yloxycarbonylsulfamoylamino)thiophene-2-carboxylic acid is sourced from PubChem (CID 114915175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).