2-[1-[(1,1-dioxothiolan-3-yl)sulfonylmethyl]cyclopropyl]acetic acid

C10H16O6S2 — CID 65444128

IUPAC2-[1-[(1,1-dioxothiolan-3-yl)sulfonylmethyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1(CS(=O)(=O)C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C10H16O6S2/c11-9(12)5-10(2-3-10)7-18(15,16)8-1-4-17(13,14)6-8/h8H,1-7H2,(H,11,12)
InChIKeyTWEZNVDLXBVSIC-UHFFFAOYSA-N
MW296.37 g/mol
LogP-0.16
Rot. Bonds5

About 2-[1-[(1,1-dioxothiolan-3-yl)sulfonylmethyl]cyclopropyl]acetic acid

2-[1-[(1,1-dioxothiolan-3-yl)sulfonylmethyl]cyclopropyl]acetic acid (PubChem CID 65444128) has the molecular formula C10H16O6S2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[1-[(1,1-dioxothiolan-3-yl)sulfonylmethyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1,1-dioxothiolan-3-yl)sulfonylmethyl]cyclopropyl]acetic acid
PubChem CID65444128
Molecular FormulaC10H16O6S2
Molecular Weight296.37 g/mol
Exact Mass296.04
IUPAC Name2-[1-[(1,1-dioxothiolan-3-yl)sulfonylmethyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1(CS(=O)(=O)C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C10H16O6S2/c11-9(12)5-10(2-3-10)7-18(15,16)8-1-4-17(13,14)6-8/h8H,1-7H2,(H,11,12)
InChIKeyTWEZNVDLXBVSIC-UHFFFAOYSA-N
XLogP-0.16
TPSA105.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[1-[(1,1-dioxothiolan-3-yl)sulfonylmethyl]cyclopropyl]acetate
CID 107776619
2-[1-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclopentyl]acetic acid
CID 64672752
2-[1-[(3-methylcyclohexyl)sulfonylmethyl]cyclopropyl]acetic acid
CID 65442326
methyl 2-[(3S)-1,1-dioxothiolan-3-yl]sulfonylacetate
CID 7361246
1-[[(1,1-dioxothiolan-3-yl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 113312092
methyl 2-[1-(cyclobutylsulfonylmethyl)cyclopropyl]acetate
CID 107776814
3-(1,1-dioxothiolan-3-yl)sulfonylbutanoic acid
CID 66116145
2-[1-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfonylmethyl)cyclopropyl]acetic acid
CID 79901682
2-[1-[2-[(1,1-dioxothian-4-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61071310
N-[(1-hydroxycyclopentyl)methyl]-1,1-dioxothiolane-3-sulfonamide
CID 65113372
methyl 3-(1,1-dioxothiolan-3-yl)sulfonyl-2-methylpropanoate
CID 66116046
2-[1-[(2,2,5,5-tetramethyloxolan-3-yl)sulfonylmethyl]cyclopropyl]acetic acid
CID 114621387

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1,1-dioxothiolan-3-yl)sulfonylmethyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(1,1-dioxothiolan-3-yl)sulfonylmethyl]cyclopropyl]acetic acid (CID 65444128) is 2-[1-[(1,1-dioxothiolan-3-yl)sulfonylmethyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(1,1-dioxothiolan-3-yl)sulfonylmethyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(1,1-dioxothiolan-3-yl)sulfonylmethyl]cyclopropyl]acetic acid is O=C(O)CC1(CS(=O)(=O)C2CCS(=O)(=O)C2)CC1.
What is the InChIKey of 2-[1-[(1,1-dioxothiolan-3-yl)sulfonylmethyl]cyclopropyl]acetic acid?
The InChIKey is TWEZNVDLXBVSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O6S2/c11-9(12)5-10(2-3-10)7-18(15,16)8-1-4-17(13,14)6-8/h8H,1-7H2,(H,11,12).
What are the key properties of 2-[1-[(1,1-dioxothiolan-3-yl)sulfonylmethyl]cyclopropyl]acetic acid?
2-[1-[(1,1-dioxothiolan-3-yl)sulfonylmethyl]cyclopropyl]acetic acid has a molecular weight of 296.37 g/mol, XLogP of -0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1,1-dioxothiolan-3-yl)sulfonylmethyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65444128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).