1,3-dithiolan-2-yl(pyrrolidin-1-yl)methanone

C8H13NOS2 — CID 71344470

IUPAC1,3-dithiolan-2-yl(pyrrolidin-1-yl)methanone
SMILESO=C(C1SCCS1)N1CCCC1
InChIInChI=1S/C8H13NOS2/c10-7(8-11-5-6-12-8)9-3-1-2-4-9/h8H,1-6H2
InChIKeyLYIDCUJFCZTURW-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.41
Rot. Bonds1

About 1,3-dithiolan-2-yl(pyrrolidin-1-yl)methanone

1,3-dithiolan-2-yl(pyrrolidin-1-yl)methanone (PubChem CID 71344470) has the molecular formula C8H13NOS2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 1,3-dithiolan-2-yl(pyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name1,3-dithiolan-2-yl(pyrrolidin-1-yl)methanone
PubChem CID71344470
Molecular FormulaC8H13NOS2
Molecular Weight203.33 g/mol
Exact Mass203.04
IUPAC Name1,3-dithiolan-2-yl(pyrrolidin-1-yl)methanone
SMILESO=C(C1SCCS1)N1CCCC1
InChIInChI=1S/C8H13NOS2/c10-7(8-11-5-6-12-8)9-3-1-2-4-9/h8H,1-6H2
InChIKeyLYIDCUJFCZTURW-UHFFFAOYSA-N
XLogP1.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,5-Dihydro-1,3-thiazol-2-ylsulfanyl)-1-pyrrolidin-1-ylethanone
CID 2402789
2-Cyclopentylsulfanyl-1-pyrrolidin-1-ylethanone
CID 2402562
1,3-Dithian-2-yl(pyrrolidin-1-yl)methanone
CID 134886125
[(1R,2S)-1-oxo-1,3-dithiolan-2-yl]-pyrrolidin-1-ylmethanone
CID 134926279
[(1R,2R)-1-oxo-1,3-dithiolan-2-yl]-pyrrolidin-1-ylmethanone
CID 134994685
1-Pyrrolidin-1-yl-2-(thiolan-1-ium-1-yl)ethanone
CID 23535017
2-Methyl-1-pyrrolidin-1-yl-2-(thiolan-1-ium-1-yl)propan-1-one
CID 23535035
2-Tert-butylsulfanyl-1-pyrrolidin-1-ylethanone
CID 40231110
2-Ethylsulfanyl-1-pyrrolidin-1-ylethanone
CID 52140751
2-Propan-2-ylsulfanyl-1-pyrrolidin-1-ylethanone
CID 52140809
2,2-Bis(ethylsulfanyl)-1-pyrrolidin-1-ylethanone
CID 87377819
2-Butylsulfanyl-1-pyrrolidin-1-ylethanone
CID 52141176

Frequently Asked Questions

What is the IUPAC name of 1,3-dithiolan-2-yl(pyrrolidin-1-yl)methanone?
The IUPAC name of 1,3-dithiolan-2-yl(pyrrolidin-1-yl)methanone (CID 71344470) is 1,3-dithiolan-2-yl(pyrrolidin-1-yl)methanone.
What is the SMILES notation for 1,3-dithiolan-2-yl(pyrrolidin-1-yl)methanone?
The canonical SMILES for 1,3-dithiolan-2-yl(pyrrolidin-1-yl)methanone is O=C(C1SCCS1)N1CCCC1.
What is the InChIKey of 1,3-dithiolan-2-yl(pyrrolidin-1-yl)methanone?
The InChIKey is LYIDCUJFCZTURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS2/c10-7(8-11-5-6-12-8)9-3-1-2-4-9/h8H,1-6H2.
What are the key properties of 1,3-dithiolan-2-yl(pyrrolidin-1-yl)methanone?
1,3-dithiolan-2-yl(pyrrolidin-1-yl)methanone has a molecular weight of 203.33 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dithiolan-2-yl(pyrrolidin-1-yl)methanone is sourced from PubChem (CID 71344470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).