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

C11H19NO6S2 — CID 64816442

IUPAC2-[(1,1-dioxothian-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1NS(=O)(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C11H19NO6S2/c13-11(14)9-2-1-3-10(9)12-20(17,18)8-4-6-19(15,16)7-5-8/h8-10,12H,1-7H2,(H,13,14)
InChIKeyJHRVHLDPYDTEIX-UHFFFAOYSA-N
MW325.41 g/mol
LogP-0.26
Rot. Bonds4

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

2-[(1,1-dioxothian-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid (PubChem CID 64816442) has the molecular formula C11H19NO6S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-[(1,1-dioxothian-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(1,1-dioxothian-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid
PubChem CID64816442
Molecular FormulaC11H19NO6S2
Molecular Weight325.41 g/mol
Exact Mass325.07
IUPAC Name2-[(1,1-dioxothian-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1NS(=O)(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C11H19NO6S2/c13-11(14)9-2-1-3-10(9)12-20(17,18)8-4-6-19(15,16)7-5-8/h8-10,12H,1-7H2,(H,13,14)
InChIKeyJHRVHLDPYDTEIX-UHFFFAOYSA-N
XLogP-0.26
TPSA117.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 5-0.26
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]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(1,1-dioxothian-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid (CID 64816442) is 2-[(1,1-dioxothian-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(1,1-dioxothian-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(1,1-dioxothian-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1NS(=O)(=O)C1CCS(=O)(=O)CC1.
What is the InChIKey of 2-[(1,1-dioxothian-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid?
The InChIKey is JHRVHLDPYDTEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO6S2/c13-11(14)9-2-1-3-10(9)12-20(17,18)8-4-6-19(15,16)7-5-8/h8-10,12H,1-7H2,(H,13,14).
What are the key properties of 2-[(1,1-dioxothian-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid?
2-[(1,1-dioxothian-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid has a molecular weight of 325.41 g/mol, XLogP of -0.26, 4 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]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64816442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).