2-(cyclopropylmethylsulfonylamino)-2-thiophen-2-ylacetic acid

C10H13NO4S2 — CID 115284374

IUPAC2-(cyclopropylmethylsulfonylamino)-2-thiophen-2-ylacetic acid
SMILESO=C(O)C(NS(=O)(=O)CC1CC1)c1cccs1
InChIInChI=1S/C10H13NO4S2/c12-10(13)9(8-2-1-5-16-8)11-17(14,15)6-7-3-4-7/h1-2,5,7,9,11H,3-4,6H2,(H,12,13)
InChIKeySCRMAFNBRLDIRK-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.20
Rot. Bonds6

About 2-(cyclopropylmethylsulfonylamino)-2-thiophen-2-ylacetic acid

2-(cyclopropylmethylsulfonylamino)-2-thiophen-2-ylacetic acid (PubChem CID 115284374) has the molecular formula C10H13NO4S2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(cyclopropylmethylsulfonylamino)-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-(cyclopropylmethylsulfonylamino)-2-thiophen-2-ylacetic acid
PubChem CID115284374
Molecular FormulaC10H13NO4S2
Molecular Weight275.35 g/mol
Exact Mass275.03
IUPAC Name2-(cyclopropylmethylsulfonylamino)-2-thiophen-2-ylacetic acid
SMILESO=C(O)C(NS(=O)(=O)CC1CC1)c1cccs1
InChIInChI=1S/C10H13NO4S2/c12-10(13)9(8-2-1-5-16-8)11-17(14,15)6-7-3-4-7/h1-2,5,7,9,11H,3-4,6H2,(H,12,13)
InChIKeySCRMAFNBRLDIRK-UHFFFAOYSA-N
XLogP1.20
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(cyclopropylmethylsulfonylamino)-2-thiophen-2-ylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(butylsulfonylamino)-2-thiophen-2-ylacetic acid
CID 115284360
2-(cyclohexylsulfonylamino)-2-thiophen-2-ylacetic acid
CID 115284282
2-(methanesulfonamido)-2-thiophen-2-ylacetic acid
CID 79018787
(2R)-2-(cyclobutylmethylsulfonylamino)-2-phenylacetic acid
CID 122069426
2-[(1,1-dioxothian-4-yl)sulfonylamino]-2-thiophen-2-ylacetic acid
CID 115284341
methyl (3S)-3-(cyclohexylmethylsulfonylamino)-3-thiophen-2-ylpropanoate
CID 95733855
2-[(2-cyclopentylacetyl)amino]-2-thiophen-2-ylacetic acid
CID 113278582
2-[(2-cyclobutylacetyl)amino]-2-thiophen-2-ylacetic acid
CID 103162098
2-[2-(propylsulfonylamino)propanoylamino]-2-thiophen-2-ylacetic acid
CID 115283908
2-(cyclobutylmethylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285212
2-[(2-pyrrolidin-3-ylacetyl)amino]-2-thiophen-2-ylacetic acid
CID 113278796
2-[[(E)-2-phenylethenyl]sulfonylamino]-2-thiophen-2-ylacetic acid
CID 115284329

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylsulfonylamino)-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-(cyclopropylmethylsulfonylamino)-2-thiophen-2-ylacetic acid (CID 115284374) is 2-(cyclopropylmethylsulfonylamino)-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-(cyclopropylmethylsulfonylamino)-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-(cyclopropylmethylsulfonylamino)-2-thiophen-2-ylacetic acid is O=C(O)C(NS(=O)(=O)CC1CC1)c1cccs1.
What is the InChIKey of 2-(cyclopropylmethylsulfonylamino)-2-thiophen-2-ylacetic acid?
The InChIKey is SCRMAFNBRLDIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S2/c12-10(13)9(8-2-1-5-16-8)11-17(14,15)6-7-3-4-7/h1-2,5,7,9,11H,3-4,6H2,(H,12,13).
What are the key properties of 2-(cyclopropylmethylsulfonylamino)-2-thiophen-2-ylacetic acid?
2-(cyclopropylmethylsulfonylamino)-2-thiophen-2-ylacetic acid has a molecular weight of 275.35 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylsulfonylamino)-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 115284374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).