2-[5-[[3-(methylamino)-3-oxopropyl]sulfamoyl]thiophen-2-yl]acetic acid

C10H14N2O5S2 — CID 61067934

IUPAC2-[5-[[3-(methylamino)-3-oxopropyl]sulfamoyl]thiophen-2-yl]acetic acid
SMILESCNC(=O)CCNS(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C10H14N2O5S2/c1-11-8(13)4-5-12-19(16,17)10-3-2-7(18-10)6-9(14)15/h2-3,12H,4-6H2,1H3,(H,11,13)(H,14,15)
InChIKeyFHJFDBXNMVPRJL-UHFFFAOYSA-N
MW306.37 g/mol
LogP-0.21
Rot. Bonds7

About 2-[5-[[3-(methylamino)-3-oxopropyl]sulfamoyl]thiophen-2-yl]acetic acid

2-[5-[[3-(methylamino)-3-oxopropyl]sulfamoyl]thiophen-2-yl]acetic acid (PubChem CID 61067934) has the molecular formula C10H14N2O5S2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-[5-[[3-(methylamino)-3-oxopropyl]sulfamoyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[[3-(methylamino)-3-oxopropyl]sulfamoyl]thiophen-2-yl]acetic acid
PubChem CID61067934
Molecular FormulaC10H14N2O5S2
Molecular Weight306.37 g/mol
Exact Mass306.03
IUPAC Name2-[5-[[3-(methylamino)-3-oxopropyl]sulfamoyl]thiophen-2-yl]acetic acid
SMILESCNC(=O)CCNS(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C10H14N2O5S2/c1-11-8(13)4-5-12-19(16,17)10-3-2-7(18-10)6-9(14)15/h2-3,12H,4-6H2,1H3,(H,11,13)(H,14,15)
InChIKeyFHJFDBXNMVPRJL-UHFFFAOYSA-N
XLogP-0.21
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]thiophen-2-yl]acetic acid
CID 60926141
2-[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]acetic acid
CID 29045889
3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylpropanamide
CID 61060598
2-[5-(6-hydroxyhexylsulfamoyl)thiophen-2-yl]acetic acid
CID 107847683
2-[5-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]thiophen-2-yl]acetic acid
CID 43401345
2-[5-[2-(furan-2-yl)ethylsulfamoyl]thiophen-2-yl]acetic acid
CID 60681336
2-[5-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]thiophen-2-yl]acetic acid
CID 62844503
2-[5-(2-ethoxypropylsulfamoyl)thiophen-2-yl]acetic acid
CID 113477021
2-[5-(oxan-3-ylmethylsulfamoyl)thiophen-2-yl]acetic acid
CID 61020827
2-[5-(4-hydroxybutan-2-ylsulfamoyl)thiophen-2-yl]acetic acid
CID 83177239
2-[5-[(3-methylcyclobutyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 113467124
2-[5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]thiophen-2-yl]acetic acid
CID 29267010

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[3-(methylamino)-3-oxopropyl]sulfamoyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[[3-(methylamino)-3-oxopropyl]sulfamoyl]thiophen-2-yl]acetic acid (CID 61067934) is 2-[5-[[3-(methylamino)-3-oxopropyl]sulfamoyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[[3-(methylamino)-3-oxopropyl]sulfamoyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[[3-(methylamino)-3-oxopropyl]sulfamoyl]thiophen-2-yl]acetic acid is CNC(=O)CCNS(=O)(=O)c1ccc(CC(=O)O)s1.
What is the InChIKey of 2-[5-[[3-(methylamino)-3-oxopropyl]sulfamoyl]thiophen-2-yl]acetic acid?
The InChIKey is FHJFDBXNMVPRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5S2/c1-11-8(13)4-5-12-19(16,17)10-3-2-7(18-10)6-9(14)15/h2-3,12H,4-6H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 2-[5-[[3-(methylamino)-3-oxopropyl]sulfamoyl]thiophen-2-yl]acetic acid?
2-[5-[[3-(methylamino)-3-oxopropyl]sulfamoyl]thiophen-2-yl]acetic acid has a molecular weight of 306.37 g/mol, XLogP of -0.21, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[3-(methylamino)-3-oxopropyl]sulfamoyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 61067934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).