2-[bis(methylsulfonyl)amino]acetic acid

C4H9NO6S2 — CID 90374472

IUPAC2-[bis(methylsulfonyl)amino]acetic acid
SMILESCS(=O)(=O)N(CC(=O)O)S(C)(=O)=O
InChIInChI=1S/C4H9NO6S2/c1-12(8,9)5(3-4(6)7)13(2,10)11/h3H2,1-2H3,(H,6,7)
InChIKeyHQQDWHJUXGSHAY-UHFFFAOYSA-N
MW231.25 g/mol
LogP-1.71
Rot. Bonds4

About 2-[bis(methylsulfonyl)amino]acetic acid

2-[bis(methylsulfonyl)amino]acetic acid (PubChem CID 90374472) has the molecular formula C4H9NO6S2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-[bis(methylsulfonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[bis(methylsulfonyl)amino]acetic acid
PubChem CID90374472
Molecular FormulaC4H9NO6S2
Molecular Weight231.25 g/mol
Exact Mass230.99
IUPAC Name2-[bis(methylsulfonyl)amino]acetic acid
SMILESCS(=O)(=O)N(CC(=O)O)S(C)(=O)=O
InChIInChI=1S/C4H9NO6S2/c1-12(8,9)5(3-4(6)7)13(2,10)11/h3H2,1-2H3,(H,6,7)
InChIKeyHQQDWHJUXGSHAY-UHFFFAOYSA-N
XLogP-1.71
TPSA108.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-1.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(methylsulfonyl)amino]acetic acid?
The IUPAC name of 2-[bis(methylsulfonyl)amino]acetic acid (CID 90374472) is 2-[bis(methylsulfonyl)amino]acetic acid.
What is the SMILES notation for 2-[bis(methylsulfonyl)amino]acetic acid?
The canonical SMILES for 2-[bis(methylsulfonyl)amino]acetic acid is CS(=O)(=O)N(CC(=O)O)S(C)(=O)=O.
What is the InChIKey of 2-[bis(methylsulfonyl)amino]acetic acid?
The InChIKey is HQQDWHJUXGSHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO6S2/c1-12(8,9)5(3-4(6)7)13(2,10)11/h3H2,1-2H3,(H,6,7).
What are the key properties of 2-[bis(methylsulfonyl)amino]acetic acid?
2-[bis(methylsulfonyl)amino]acetic acid has a molecular weight of 231.25 g/mol, XLogP of -1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(methylsulfonyl)amino]acetic acid is sourced from PubChem (CID 90374472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).