2-[5-[3-(dimethylamino)propyl-ethylsulfamoyl]thiophen-2-yl]acetic acid

C13H22N2O4S2 — CID 102991763

IUPAC2-[5-[3-(dimethylamino)propyl-ethylsulfamoyl]thiophen-2-yl]acetic acid
SMILESCCN(CCCN(C)C)S(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C13H22N2O4S2/c1-4-15(9-5-8-14(2)3)21(18,19)13-7-6-11(20-13)10-12(16)17/h6-7H,4-5,8-10H2,1-3H3,(H,16,17)
InChIKeyDHZLXJCVPRVDJU-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.34
Rot. Bonds9

About 2-[5-[3-(dimethylamino)propyl-ethylsulfamoyl]thiophen-2-yl]acetic acid

2-[5-[3-(dimethylamino)propyl-ethylsulfamoyl]thiophen-2-yl]acetic acid (PubChem CID 102991763) has the molecular formula C13H22N2O4S2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-[5-[3-(dimethylamino)propyl-ethylsulfamoyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[3-(dimethylamino)propyl-ethylsulfamoyl]thiophen-2-yl]acetic acid
PubChem CID102991763
Molecular FormulaC13H22N2O4S2
Molecular Weight334.46 g/mol
Exact Mass334.10
IUPAC Name2-[5-[3-(dimethylamino)propyl-ethylsulfamoyl]thiophen-2-yl]acetic acid
SMILESCCN(CCCN(C)C)S(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C13H22N2O4S2/c1-4-15(9-5-8-14(2)3)21(18,19)13-7-6-11(20-13)10-12(16)17/h6-7H,4-5,8-10H2,1-3H3,(H,16,17)
InChIKeyDHZLXJCVPRVDJU-UHFFFAOYSA-N
XLogP1.34
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[ethyl(2-methoxyethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 61384509
2-[5-[benzyl(ethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 45297292
2-[5-[ethyl(thiophen-2-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 45298794
5-cyano-N-[3-(dimethylamino)propyl]-N-ethylthiophene-2-sulfonamide
CID 106269262
2-[5-[methyl(pent-4-enyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 104654990
5-(2-aminoethyl)-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 54879826
2-[5-[cyclopentyl(methyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 43213263
2-[5-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]thiophen-2-yl]acetic acid
CID 79386899
2-[5-[ethyl(pyridin-4-yl)sulfamoyl]thiophen-2-yl]acetic acid
CID 104656493
2-[5-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 63285665
2-[5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 79488468
4-[3-(dimethylamino)propyl-ethylsulfamoyl]benzoic acid
CID 102991760

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-(dimethylamino)propyl-ethylsulfamoyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[3-(dimethylamino)propyl-ethylsulfamoyl]thiophen-2-yl]acetic acid (CID 102991763) is 2-[5-[3-(dimethylamino)propyl-ethylsulfamoyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[3-(dimethylamino)propyl-ethylsulfamoyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[3-(dimethylamino)propyl-ethylsulfamoyl]thiophen-2-yl]acetic acid is CCN(CCCN(C)C)S(=O)(=O)c1ccc(CC(=O)O)s1.
What is the InChIKey of 2-[5-[3-(dimethylamino)propyl-ethylsulfamoyl]thiophen-2-yl]acetic acid?
The InChIKey is DHZLXJCVPRVDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S2/c1-4-15(9-5-8-14(2)3)21(18,19)13-7-6-11(20-13)10-12(16)17/h6-7H,4-5,8-10H2,1-3H3,(H,16,17).
What are the key properties of 2-[5-[3-(dimethylamino)propyl-ethylsulfamoyl]thiophen-2-yl]acetic acid?
2-[5-[3-(dimethylamino)propyl-ethylsulfamoyl]thiophen-2-yl]acetic acid has a molecular weight of 334.46 g/mol, XLogP of 1.34, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-(dimethylamino)propyl-ethylsulfamoyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 102991763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).