2-(1,1-dioxothiolan-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone

C10H17NO3S2 — CID 60667109

IUPAC2-(1,1-dioxothiolan-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone
SMILESO=C(CSC1CCS(=O)(=O)C1)N1CCCC1
InChIInChI=1S/C10H17NO3S2/c12-10(11-4-1-2-5-11)7-15-9-3-6-16(13,14)8-9/h9H,1-8H2
InChIKeyVAHMPJAVFLWBMM-UHFFFAOYSA-N
MW263.38 g/mol
LogP0.53
Rot. Bonds3

About 2-(1,1-dioxothiolan-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone

2-(1,1-dioxothiolan-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone (PubChem CID 60667109) has the molecular formula C10H17NO3S2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone
PubChem CID60667109
Molecular FormulaC10H17NO3S2
Molecular Weight263.38 g/mol
Exact Mass263.06
IUPAC Name2-(1,1-dioxothiolan-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone
SMILESO=C(CSC1CCS(=O)(=O)C1)N1CCCC1
InChIInChI=1S/C10H17NO3S2/c12-10(11-4-1-2-5-11)7-15-9-3-6-16(13,14)8-9/h9H,1-8H2
InChIKeyVAHMPJAVFLWBMM-UHFFFAOYSA-N
XLogP0.53
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azocan-1-yl)-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylethanone
CID 95572289
2-(1,1-dioxothiolan-3-yl)sulfanyl-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43572871
2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 9207349
2-(1,1-dioxothiolan-3-yl)sulfanylacetate
CID 3094616
1-[2-(1,1-dioxothiolan-3-yl)sulfanylacetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146746
2-cyclopentylsulfanyl-1-piperidin-1-ylethanone
CID 47003991
ethyl 2-(1,1-dioxothiolan-3-yl)sulfanylacetate
CID 78912204
2-(1,1-dioxothian-4-yl)-1-pyrrolidin-1-ylethanone
CID 110848611
1-pyrrolidin-1-yl-2-pyrrolidin-3-ylsulfanylethanone
CID 71777928
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-methylacetamide
CID 47116316
2-(1,1-dioxothiolan-3-yl)sulfanyl-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 55461209
2-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfanyl-1-piperidin-1-ylethanone
CID 114236019

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone (CID 60667109) is 2-(1,1-dioxothiolan-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone is O=C(CSC1CCS(=O)(=O)C1)N1CCCC1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
The InChIKey is VAHMPJAVFLWBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S2/c12-10(11-4-1-2-5-11)7-15-9-3-6-16(13,14)8-9/h9H,1-8H2.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
2-(1,1-dioxothiolan-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone has a molecular weight of 263.38 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 60667109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).