2-[(1,1-dioxothian-4-yl)sulfonylamino]-2-methylpentanoic acid

C11H21NO6S2 — CID 62086192

IUPAC2-[(1,1-dioxothian-4-yl)sulfonylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)O
InChIInChI=1S/C11H21NO6S2/c1-3-6-11(2,10(13)14)12-20(17,18)9-4-7-19(15,16)8-5-9/h9,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyGUZKZOLZLPLDNQ-UHFFFAOYSA-N
MW327.42 g/mol
LogP0.13
Rot. Bonds6

About 2-[(1,1-dioxothian-4-yl)sulfonylamino]-2-methylpentanoic acid

2-[(1,1-dioxothian-4-yl)sulfonylamino]-2-methylpentanoic acid (PubChem CID 62086192) has the molecular formula C11H21NO6S2 and a molecular weight of 327.42 g/mol. Its IUPAC name is 2-[(1,1-dioxothian-4-yl)sulfonylamino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(1,1-dioxothian-4-yl)sulfonylamino]-2-methylpentanoic acid
PubChem CID62086192
Molecular FormulaC11H21NO6S2
Molecular Weight327.42 g/mol
Exact Mass327.08
IUPAC Name2-[(1,1-dioxothian-4-yl)sulfonylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)O
InChIInChI=1S/C11H21NO6S2/c1-3-6-11(2,10(13)14)12-20(17,18)9-4-7-19(15,16)8-5-9/h9,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyGUZKZOLZLPLDNQ-UHFFFAOYSA-N
XLogP0.13
TPSA117.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothian-4-yl)sulfonylamino]-2-methylpentanoic acid?
The IUPAC name of 2-[(1,1-dioxothian-4-yl)sulfonylamino]-2-methylpentanoic acid (CID 62086192) is 2-[(1,1-dioxothian-4-yl)sulfonylamino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(1,1-dioxothian-4-yl)sulfonylamino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(1,1-dioxothian-4-yl)sulfonylamino]-2-methylpentanoic acid is CCCC(C)(NS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)O.
What is the InChIKey of 2-[(1,1-dioxothian-4-yl)sulfonylamino]-2-methylpentanoic acid?
The InChIKey is GUZKZOLZLPLDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO6S2/c1-3-6-11(2,10(13)14)12-20(17,18)9-4-7-19(15,16)8-5-9/h9,12H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 2-[(1,1-dioxothian-4-yl)sulfonylamino]-2-methylpentanoic acid?
2-[(1,1-dioxothian-4-yl)sulfonylamino]-2-methylpentanoic acid has a molecular weight of 327.42 g/mol, XLogP of 0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothian-4-yl)sulfonylamino]-2-methylpentanoic acid is sourced from PubChem (CID 62086192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).