2-[(2,5-dimethylthiophen-3-yl)sulfonyl-propan-2-ylamino]acetic acid

C11H17NO4S2 — CID 60828317

IUPAC2-[(2,5-dimethylthiophen-3-yl)sulfonyl-propan-2-ylamino]acetic acid
SMILESCc1cc(S(=O)(=O)N(CC(=O)O)C(C)C)c(C)s1
InChIInChI=1S/C11H17NO4S2/c1-7(2)12(6-11(13)14)18(15,16)10-5-8(3)17-9(10)4/h5,7H,6H2,1-4H3,(H,13,14)
InChIKeyRTAIFEMQGDMFMC-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.85
Rot. Bonds5

About 2-[(2,5-dimethylthiophen-3-yl)sulfonyl-propan-2-ylamino]acetic acid

2-[(2,5-dimethylthiophen-3-yl)sulfonyl-propan-2-ylamino]acetic acid (PubChem CID 60828317) has the molecular formula C11H17NO4S2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[(2,5-dimethylthiophen-3-yl)sulfonyl-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,5-dimethylthiophen-3-yl)sulfonyl-propan-2-ylamino]acetic acid
PubChem CID60828317
Molecular FormulaC11H17NO4S2
Molecular Weight291.39 g/mol
Exact Mass291.06
IUPAC Name2-[(2,5-dimethylthiophen-3-yl)sulfonyl-propan-2-ylamino]acetic acid
SMILESCc1cc(S(=O)(=O)N(CC(=O)O)C(C)C)c(C)s1
InChIInChI=1S/C11H17NO4S2/c1-7(2)12(6-11(13)14)18(15,16)10-5-8(3)17-9(10)4/h5,7H,6H2,1-4H3,(H,13,14)
InChIKeyRTAIFEMQGDMFMC-UHFFFAOYSA-N
XLogP1.85
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(2-hydroxyethyl)-2,5-dimethylthiophene-3-sulfonamide
CID 60956797
2-[Cyclobutyl-[5-(trifluoromethyl)thiophen-2-yl]sulfonylamino]acetic acid
CID 136550994
2-[(5-Methylthiophen-2-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257905
2-[(5-Ethylthiophen-2-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258727
2-[(2,5-Dimethylthiophen-3-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258976
2-[Methyl-[5-(trifluoromethyl)thiophen-2-yl]sulfonylamino]acetic acid
CID 121778662
2-[Propan-2-yl-[5-(trifluoromethyl)thiophen-2-yl]sulfonylamino]acetic acid
CID 121778668
2-[Propyl-[5-(trifluoromethyl)thiophen-2-yl]sulfonylamino]acetic acid
CID 121778672
2-[Methyl-[5-(trifluoromethyl)thiophen-2-yl]sulfonylamino]propanoic acid
CID 121778692
2-[Prop-2-enyl-[2-(trifluoromethyl)thiophen-3-yl]sulfonylamino]acetic acid
CID 166266158
2-[Prop-2-enyl-[5-(trifluoromethyl)thiophen-3-yl]sulfonylamino]acetic acid
CID 166266160
1-[2-(Trifluoromethyl)thiophen-3-yl]sulfonyl-2,5-dihydropyrrole-2-carboxylic acid
CID 166266280

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylthiophen-3-yl)sulfonyl-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(2,5-dimethylthiophen-3-yl)sulfonyl-propan-2-ylamino]acetic acid (CID 60828317) is 2-[(2,5-dimethylthiophen-3-yl)sulfonyl-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(2,5-dimethylthiophen-3-yl)sulfonyl-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(2,5-dimethylthiophen-3-yl)sulfonyl-propan-2-ylamino]acetic acid is Cc1cc(S(=O)(=O)N(CC(=O)O)C(C)C)c(C)s1.
What is the InChIKey of 2-[(2,5-dimethylthiophen-3-yl)sulfonyl-propan-2-ylamino]acetic acid?
The InChIKey is RTAIFEMQGDMFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S2/c1-7(2)12(6-11(13)14)18(15,16)10-5-8(3)17-9(10)4/h5,7H,6H2,1-4H3,(H,13,14).
What are the key properties of 2-[(2,5-dimethylthiophen-3-yl)sulfonyl-propan-2-ylamino]acetic acid?
2-[(2,5-dimethylthiophen-3-yl)sulfonyl-propan-2-ylamino]acetic acid has a molecular weight of 291.39 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylthiophen-3-yl)sulfonyl-propan-2-ylamino]acetic acid is sourced from PubChem (CID 60828317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).