methyl 3-(propylsulfamoylamino)thiophene-2-carboxylate

C9H14N2O4S2 — CID 114811453

IUPACmethyl 3-(propylsulfamoylamino)thiophene-2-carboxylate
SMILESCCCNS(=O)(=O)Nc1ccsc1C(=O)OC
InChIInChI=1S/C9H14N2O4S2/c1-3-5-10-17(13,14)11-7-4-6-16-8(7)9(12)15-2/h4,6,10-11H,3,5H2,1-2H3
InChIKeyKURMQYRQWGPJKU-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.19
Rot. Bonds6

About methyl 3-(propylsulfamoylamino)thiophene-2-carboxylate

methyl 3-(propylsulfamoylamino)thiophene-2-carboxylate (PubChem CID 114811453) has the molecular formula C9H14N2O4S2 and a molecular weight of 278.36 g/mol. Its IUPAC name is methyl 3-(propylsulfamoylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(propylsulfamoylamino)thiophene-2-carboxylate
PubChem CID114811453
Molecular FormulaC9H14N2O4S2
Molecular Weight278.36 g/mol
Exact Mass278.04
IUPAC Namemethyl 3-(propylsulfamoylamino)thiophene-2-carboxylate
SMILESCCCNS(=O)(=O)Nc1ccsc1C(=O)OC
InChIInChI=1S/C9H14N2O4S2/c1-3-5-10-17(13,14)11-7-4-6-16-8(7)9(12)15-2/h4,6,10-11H,3,5H2,1-2H3
InChIKeyKURMQYRQWGPJKU-UHFFFAOYSA-N
XLogP1.19
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(ethylsulfamoylamino)thiophene-2-carboxylic acid
CID 114805301
methyl 3-(2-methoxyethylsulfonylamino)thiophene-2-carboxylate
CID 55014356
methyl 3-(propylcarbamothioylamino)thiophene-2-carboxylate
CID 19655448
methyl 3-[[2-(propylamino)acetyl]amino]thiophene-2-carboxylate
CID 60703502
methyl 3-[2-(2-methoxycarbonylthiophen-3-yl)hydrazinyl]thiophene-2-carboxylate
CID 125484069
methyl 3-[(5-ethylthiophen-2-yl)sulfonylamino]thiophene-2-carboxylate
CID 47309729
methyl 3-[(4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate
CID 868244
methyl 3-(hydroxyamino)thiophene-2-carboxylate
CID 90258603
methyl 3-(methylamino)thiophene-2-carboxylate
CID 19005896
methyl 3-[(3,5-dimethylphenyl)sulfonylamino]thiophene-2-carboxylate
CID 60675264
methyl 3-(pyrrolidin-1-ylsulfonylamino)thiophene-2-carboxylate
CID 43624381
methyl 3-[(5-chloro-2-methylphenyl)sulfonylamino]thiophene-2-carboxylate
CID 38890684

Frequently Asked Questions

What is the IUPAC name of methyl 3-(propylsulfamoylamino)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(propylsulfamoylamino)thiophene-2-carboxylate (CID 114811453) is methyl 3-(propylsulfamoylamino)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(propylsulfamoylamino)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(propylsulfamoylamino)thiophene-2-carboxylate is CCCNS(=O)(=O)Nc1ccsc1C(=O)OC.
What is the InChIKey of methyl 3-(propylsulfamoylamino)thiophene-2-carboxylate?
The InChIKey is KURMQYRQWGPJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4S2/c1-3-5-10-17(13,14)11-7-4-6-16-8(7)9(12)15-2/h4,6,10-11H,3,5H2,1-2H3.
What are the key properties of methyl 3-(propylsulfamoylamino)thiophene-2-carboxylate?
methyl 3-(propylsulfamoylamino)thiophene-2-carboxylate has a molecular weight of 278.36 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(propylsulfamoylamino)thiophene-2-carboxylate is sourced from PubChem (CID 114811453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).