2-[methyl(thiophen-2-ylsulfonyl)amino]acetate

C7H8NO4S2- — CID 4295868

IUPAC2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
SMILESCN(CC(=O)[O-])S(=O)(=O)c1cccs1
InChIInChI=1S/C7H9NO4S2/c1-8(5-6(9)10)14(11,12)7-3-2-4-13-7/h2-4H,5H2,1H3,(H,9,10)/p-1
InChIKeyRCDPWPQKDBALBG-UHFFFAOYSA-M
MW234.28 g/mol
LogP-0.88
Rot. Bonds4

About 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate

2-[methyl(thiophen-2-ylsulfonyl)amino]acetate (PubChem CID 4295868) has the molecular formula C7H8NO4S2- and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate.

Molecular Properties

Compound Name2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
PubChem CID4295868
Molecular FormulaC7H8NO4S2-
Molecular Weight234.28 g/mol
Exact Mass233.99
IUPAC Name2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
SMILESCN(CC(=O)[O-])S(=O)(=O)c1cccs1
InChIInChI=1S/C7H9NO4S2/c1-8(5-6(9)10)14(11,12)7-3-2-4-13-7/h2-4H,5H2,1H3,(H,9,10)/p-1
InChIKeyRCDPWPQKDBALBG-UHFFFAOYSA-M
XLogP-0.88
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 5-0.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate?
The IUPAC name of 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate (CID 4295868) is 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate.
What is the SMILES notation for 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate?
The canonical SMILES for 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate is CN(CC(=O)[O-])S(=O)(=O)c1cccs1.
What is the InChIKey of 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate?
The InChIKey is RCDPWPQKDBALBG-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H9NO4S2/c1-8(5-6(9)10)14(11,12)7-3-2-4-13-7/h2-4H,5H2,1H3,(H,9,10)/p-1.
What are the key properties of 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate?
2-[methyl(thiophen-2-ylsulfonyl)amino]acetate has a molecular weight of 234.28 g/mol, XLogP of -0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate is sourced from PubChem (CID 4295868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).