2-[cyclopentylsulfonyl-(1,1-dioxothiolan-3-yl)amino]acetic acid

C11H19NO6S2 — CID 105360727

IUPAC2-[cyclopentylsulfonyl-(1,1-dioxothiolan-3-yl)amino]acetic acid
SMILESO=C(O)CN(C1CCS(=O)(=O)C1)S(=O)(=O)C1CCCC1
InChIInChI=1S/C11H19NO6S2/c13-11(14)7-12(9-5-6-19(15,16)8-9)20(17,18)10-3-1-2-4-10/h9-10H,1-8H2,(H,13,14)
InChIKeySZVIPQOTPFDNOS-UHFFFAOYSA-N
MW325.41 g/mol
LogP-0.17
Rot. Bonds5

About 2-[cyclopentylsulfonyl-(1,1-dioxothiolan-3-yl)amino]acetic acid

2-[cyclopentylsulfonyl-(1,1-dioxothiolan-3-yl)amino]acetic acid (PubChem CID 105360727) has the molecular formula C11H19NO6S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-[cyclopentylsulfonyl-(1,1-dioxothiolan-3-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentylsulfonyl-(1,1-dioxothiolan-3-yl)amino]acetic acid
PubChem CID105360727
Molecular FormulaC11H19NO6S2
Molecular Weight325.41 g/mol
Exact Mass325.07
IUPAC Name2-[cyclopentylsulfonyl-(1,1-dioxothiolan-3-yl)amino]acetic acid
SMILESO=C(O)CN(C1CCS(=O)(=O)C1)S(=O)(=O)C1CCCC1
InChIInChI=1S/C11H19NO6S2/c13-11(14)7-12(9-5-6-19(15,16)8-9)20(17,18)10-3-1-2-4-10/h9-10H,1-8H2,(H,13,14)
InChIKeySZVIPQOTPFDNOS-UHFFFAOYSA-N
XLogP-0.17
TPSA108.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[cyclopentylsulfonyl-(1,1-dioxothiolan-3-yl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1,1-dioxothiolan-3-yl)-ethylsulfonylamino]acetic acid
CID 60675324
2-[(1,1-dioxothiolan-3-yl)-(trifluoromethylsulfonyl)amino]acetic acid
CID 54925507
2-[(1,1-dioxothiolan-3-yl)-piperidin-1-ylsulfonylamino]acetic acid
CID 60829293
2-[butylsulfonyl-(1,1-dioxothiolan-3-yl)amino]acetic acid
CID 54918049
2-[(1,1-dioxothiolan-3-yl)-(2-ethoxy-2-oxoethyl)sulfonylamino]acetic acid
CID 61456599
2-[(1,1-dioxothiolan-3-yl)-(2-methoxyethylsulfamoyl)amino]acetic acid
CID 114814426
2-[[(3R)-1,1-dioxothiolan-3-yl]-(4-methoxyphenyl)sulfonylamino]acetic acid
CID 129360384
2-[(1,1-dioxothiolan-3-yl)-(1H-pyrazol-4-ylsulfonyl)amino]acetic acid
CID 60916766
2-[cyclobutylmethyl-(1,1-dioxothiolan-3-yl)amino]acetic acid
CID 65459687
2-[(1,1-dioxothiolan-3-yl)-(1-methylpiperidin-4-yl)amino]acetic acid
CID 65059016
N-cyclopentyl-N-(2-hydroxyethyl)-1,1-dioxothiane-4-sulfonamide
CID 62084061
2-[(1,1-dioxothiolan-3-yl)-(oxan-2-ylmethyl)amino]acetic acid
CID 60839895

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentylsulfonyl-(1,1-dioxothiolan-3-yl)amino]acetic acid?
The IUPAC name of 2-[cyclopentylsulfonyl-(1,1-dioxothiolan-3-yl)amino]acetic acid (CID 105360727) is 2-[cyclopentylsulfonyl-(1,1-dioxothiolan-3-yl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentylsulfonyl-(1,1-dioxothiolan-3-yl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentylsulfonyl-(1,1-dioxothiolan-3-yl)amino]acetic acid is O=C(O)CN(C1CCS(=O)(=O)C1)S(=O)(=O)C1CCCC1.
What is the InChIKey of 2-[cyclopentylsulfonyl-(1,1-dioxothiolan-3-yl)amino]acetic acid?
The InChIKey is SZVIPQOTPFDNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO6S2/c13-11(14)7-12(9-5-6-19(15,16)8-9)20(17,18)10-3-1-2-4-10/h9-10H,1-8H2,(H,13,14).
What are the key properties of 2-[cyclopentylsulfonyl-(1,1-dioxothiolan-3-yl)amino]acetic acid?
2-[cyclopentylsulfonyl-(1,1-dioxothiolan-3-yl)amino]acetic acid has a molecular weight of 325.41 g/mol, XLogP of -0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentylsulfonyl-(1,1-dioxothiolan-3-yl)amino]acetic acid is sourced from PubChem (CID 105360727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).