4-[bis(methylsulfonyl)amino]pentanoic acid

C7H15NO6S2 — CID 87416696

IUPAC4-[bis(methylsulfonyl)amino]pentanoic acid
SMILESCC(CCC(=O)O)N(S(C)(=O)=O)S(C)(=O)=O
InChIInChI=1S/C7H15NO6S2/c1-6(4-5-7(9)10)8(15(2,11)12)16(3,13)14/h6H,4-5H2,1-3H3,(H,9,10)
InChIKeyCYNDFEZSAAXMSA-UHFFFAOYSA-N
MW273.33 g/mol
LogP-0.54
Rot. Bonds6

About 4-[bis(methylsulfonyl)amino]pentanoic acid

4-[bis(methylsulfonyl)amino]pentanoic acid (PubChem CID 87416696) has the molecular formula C7H15NO6S2 and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-[bis(methylsulfonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-[bis(methylsulfonyl)amino]pentanoic acid
PubChem CID87416696
Molecular FormulaC7H15NO6S2
Molecular Weight273.33 g/mol
Exact Mass273.03
IUPAC Name4-[bis(methylsulfonyl)amino]pentanoic acid
SMILESCC(CCC(=O)O)N(S(C)(=O)=O)S(C)(=O)=O
InChIInChI=1S/C7H15NO6S2/c1-6(4-5-7(9)10)8(15(2,11)12)16(3,13)14/h6H,4-5H2,1-3H3,(H,9,10)
InChIKeyCYNDFEZSAAXMSA-UHFFFAOYSA-N
XLogP-0.54
TPSA108.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[bis(methylsulfonyl)amino]pentanoic acid?
The IUPAC name of 4-[bis(methylsulfonyl)amino]pentanoic acid (CID 87416696) is 4-[bis(methylsulfonyl)amino]pentanoic acid.
What is the SMILES notation for 4-[bis(methylsulfonyl)amino]pentanoic acid?
The canonical SMILES for 4-[bis(methylsulfonyl)amino]pentanoic acid is CC(CCC(=O)O)N(S(C)(=O)=O)S(C)(=O)=O.
What is the InChIKey of 4-[bis(methylsulfonyl)amino]pentanoic acid?
The InChIKey is CYNDFEZSAAXMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO6S2/c1-6(4-5-7(9)10)8(15(2,11)12)16(3,13)14/h6H,4-5H2,1-3H3,(H,9,10).
What are the key properties of 4-[bis(methylsulfonyl)amino]pentanoic acid?
4-[bis(methylsulfonyl)amino]pentanoic acid has a molecular weight of 273.33 g/mol, XLogP of -0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(methylsulfonyl)amino]pentanoic acid is sourced from PubChem (CID 87416696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).