2-[propan-2-yl(thiophen-2-ylsulfonyl)amino]acetic acid

C9H13NO4S2 — CID 60827657

IUPAC2-[propan-2-yl(thiophen-2-ylsulfonyl)amino]acetic acid
SMILESCC(C)N(CC(=O)O)S(=O)(=O)c1cccs1
InChIInChI=1S/C9H13NO4S2/c1-7(2)10(6-8(11)12)16(13,14)9-4-3-5-15-9/h3-5,7H,6H2,1-2H3,(H,11,12)
InChIKeyUAVHMQBVTMKBRA-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.23
Rot. Bonds5

About 2-[propan-2-yl(thiophen-2-ylsulfonyl)amino]acetic acid

2-[propan-2-yl(thiophen-2-ylsulfonyl)amino]acetic acid (PubChem CID 60827657) has the molecular formula C9H13NO4S2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[propan-2-yl(thiophen-2-ylsulfonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[propan-2-yl(thiophen-2-ylsulfonyl)amino]acetic acid
PubChem CID60827657
Molecular FormulaC9H13NO4S2
Molecular Weight263.34 g/mol
Exact Mass263.03
IUPAC Name2-[propan-2-yl(thiophen-2-ylsulfonyl)amino]acetic acid
SMILESCC(C)N(CC(=O)O)S(=O)(=O)c1cccs1
InChIInChI=1S/C9H13NO4S2/c1-7(2)10(6-8(11)12)16(13,14)9-4-3-5-15-9/h3-5,7H,6H2,1-2H3,(H,11,12)
InChIKeyUAVHMQBVTMKBRA-UHFFFAOYSA-N
XLogP1.23
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-propan-2-ylthiophene-2-sulfonamide
CID 2813900
N-(2-bromoethyl)-N-propan-2-ylthiophene-2-sulfonamide
CID 80671711
N-(3-chloropropyl)-N-propan-2-ylthiophene-2-sulfonamide
CID 63396974
N-(2-cyanoethyl)-N-propan-2-ylthiophene-2-sulfonamide
CID 55206830
2-(4-hydroxy-N-thiophen-2-ylsulfonylanilino)acetic acid
CID 60828163
2-[pyridin-3-ylmethyl(thiophen-2-ylsulfonyl)amino]propanoic acid
CID 154740383
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(1S)-1-phenylethyl]acetamide
CID 7917911
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(1R)-1-phenylethyl]acetamide
CID 7917913
methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 3312195
2-[propan-2-yl(1H-pyrrol-3-ylsulfonyl)amino]acetic acid
CID 60828806
N-(2-hydroxypropyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 43418420
N-(2-hydroxyethyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-propan-2-ylacetamide
CID 43573487

Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl(thiophen-2-ylsulfonyl)amino]acetic acid?
The IUPAC name of 2-[propan-2-yl(thiophen-2-ylsulfonyl)amino]acetic acid (CID 60827657) is 2-[propan-2-yl(thiophen-2-ylsulfonyl)amino]acetic acid.
What is the SMILES notation for 2-[propan-2-yl(thiophen-2-ylsulfonyl)amino]acetic acid?
The canonical SMILES for 2-[propan-2-yl(thiophen-2-ylsulfonyl)amino]acetic acid is CC(C)N(CC(=O)O)S(=O)(=O)c1cccs1.
What is the InChIKey of 2-[propan-2-yl(thiophen-2-ylsulfonyl)amino]acetic acid?
The InChIKey is UAVHMQBVTMKBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4S2/c1-7(2)10(6-8(11)12)16(13,14)9-4-3-5-15-9/h3-5,7H,6H2,1-2H3,(H,11,12).
What are the key properties of 2-[propan-2-yl(thiophen-2-ylsulfonyl)amino]acetic acid?
2-[propan-2-yl(thiophen-2-ylsulfonyl)amino]acetic acid has a molecular weight of 263.34 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl(thiophen-2-ylsulfonyl)amino]acetic acid is sourced from PubChem (CID 60827657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).