4-[[(1S,2S)-2-methylcyclopropyl]methylsulfamoyl]thiophene-2-carboxylic acid

C10H13NO4S2 — CID 97313462

IUPAC4-[[(1S,2S)-2-methylcyclopropyl]methylsulfamoyl]thiophene-2-carboxylic acid
SMILESC[C@H]1C[C@@H]1CNS(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C10H13NO4S2/c1-6-2-7(6)4-11-17(14,15)8-3-9(10(12)13)16-5-8/h3,5-7,11H,2,4H2,1H3,(H,12,13)/t6-,7+/m0/s1
InChIKeyKRHMIATUXSHFDN-NKWVEPMBSA-N
MW275.35 g/mol
LogP1.38
Rot. Bonds5

About 4-[[(1S,2S)-2-methylcyclopropyl]methylsulfamoyl]thiophene-2-carboxylic acid

4-[[(1S,2S)-2-methylcyclopropyl]methylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 97313462) has the molecular formula C10H13NO4S2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-[[(1S,2S)-2-methylcyclopropyl]methylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[[(1S,2S)-2-methylcyclopropyl]methylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID97313462
Molecular FormulaC10H13NO4S2
Molecular Weight275.35 g/mol
Exact Mass275.03
IUPAC Name4-[[(1S,2S)-2-methylcyclopropyl]methylsulfamoyl]thiophene-2-carboxylic acid
SMILESC[C@H]1C[C@@H]1CNS(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C10H13NO4S2/c1-6-2-7(6)4-11-17(14,15)8-3-9(10(12)13)16-5-8/h3,5-7,11H,2,4H2,1H3,(H,12,13)/t6-,7+/m0/s1
InChIKeyKRHMIATUXSHFDN-NKWVEPMBSA-N
XLogP1.38
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Cyclopropylsulfamoyl)thiophene-2-carboxylic acid
CID 16227156
4-Sulfamoylthiophene-2-carboxylic acid
CID 1273926
3-(Cycloheptylsulfamoyl)thiophene-2-carboxylic acid
CID 17221131
5-(2-Methanesulfonamidoethyl)thiophene-2-carboxylic acid
CID 16227026
3-(Methylsulfamoyl)thiophene-2-carboxylic acid
CID 16639914
4-(Pyrrolidin-1-ylsulfonyl)thiophene-2-carboxylic acid
CID 706587
4-(Piperidin-1-ylsulfonyl)thiophene-2-carboxylic acid
CID 8033933
4-[(Tert-butylamino)sulfonyl]-2-thiophenecarboxylic acid
CID 42562023
3-{[(1r)-1-Carboxyethyl]sulfamoyl}thiophene-2-carboxylic acid
CID 129883542
3-{[(1s)-1-Carboxyethyl]sulfamoyl}thiophene-2-carboxylic acid
CID 129883554
3-(2,2,2-Trifluoroethylsulfamoyl)thiophene-2-carboxylic acid
CID 43164789
3-Methyl-5-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid
CID 43314502

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S,2S)-2-methylcyclopropyl]methylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[[(1S,2S)-2-methylcyclopropyl]methylsulfamoyl]thiophene-2-carboxylic acid (CID 97313462) is 4-[[(1S,2S)-2-methylcyclopropyl]methylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[[(1S,2S)-2-methylcyclopropyl]methylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[[(1S,2S)-2-methylcyclopropyl]methylsulfamoyl]thiophene-2-carboxylic acid is C[C@H]1C[C@@H]1CNS(=O)(=O)c1csc(C(=O)O)c1.
What is the InChIKey of 4-[[(1S,2S)-2-methylcyclopropyl]methylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is KRHMIATUXSHFDN-NKWVEPMBSA-N. The full InChI is InChI=1S/C10H13NO4S2/c1-6-2-7(6)4-11-17(14,15)8-3-9(10(12)13)16-5-8/h3,5-7,11H,2,4H2,1H3,(H,12,13)/t6-,7+/m0/s1.
What are the key properties of 4-[[(1S,2S)-2-methylcyclopropyl]methylsulfamoyl]thiophene-2-carboxylic acid?
4-[[(1S,2S)-2-methylcyclopropyl]methylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S,2S)-2-methylcyclopropyl]methylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 97313462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).