1,3-dithiolan-2-yl(thiomorpholin-4-yl)methanone

C8H13NOS3 — CID 130626770

IUPAC1,3-dithiolan-2-yl(thiomorpholin-4-yl)methanone
SMILESO=C(C1SCCS1)N1CCSCC1
InChIInChI=1S/C8H13NOS3/c10-7(8-12-5-6-13-8)9-1-3-11-4-2-9/h8H,1-6H2
InChIKeyZCGCEOXFYPKCEP-UHFFFAOYSA-N
MW235.40 g/mol
LogP1.37
Rot. Bonds1

About 1,3-dithiolan-2-yl(thiomorpholin-4-yl)methanone

1,3-dithiolan-2-yl(thiomorpholin-4-yl)methanone (PubChem CID 130626770) has the molecular formula C8H13NOS3 and a molecular weight of 235.40 g/mol. Its IUPAC name is 1,3-dithiolan-2-yl(thiomorpholin-4-yl)methanone.

Molecular Properties

Compound Name1,3-dithiolan-2-yl(thiomorpholin-4-yl)methanone
PubChem CID130626770
Molecular FormulaC8H13NOS3
Molecular Weight235.40 g/mol
Exact Mass235.02
IUPAC Name1,3-dithiolan-2-yl(thiomorpholin-4-yl)methanone
SMILESO=C(C1SCCS1)N1CCSCC1
InChIInChI=1S/C8H13NOS3/c10-7(8-12-5-6-13-8)9-1-3-11-4-2-9/h8H,1-6H2
InChIKeyZCGCEOXFYPKCEP-UHFFFAOYSA-N
XLogP1.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dithiolan-2-yl-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 126997876
cycloheptyl(thiomorpholin-4-yl)methanone
CID 71934333
[(1S)-2,2-dimethylcyclopropyl]-thiomorpholin-4-ylmethanone
CID 130676353
cyclopropyl(1,4-thiazepan-4-yl)methanone
CID 60773784
pyrrolidin-1-yl-[(1S,2S)-2-(1,4-thiazepane-4-carbonyl)cyclohexyl]methanone
CID 96526393
[(1S,2R)-2-aminocyclopentyl]-thiomorpholin-4-ylmethanone
CID 164661854
azetidin-2-yl(1,4-thiazepan-4-yl)methanone
CID 130767550
[(2R)-piperidin-2-yl]-thiomorpholin-4-ylmethanone
CID 28787415
3-(thiomorpholine-4-carbonyl)cyclohexane-1-carboxylic acid
CID 63782956
4-(thiomorpholine-4-carbonyl)piperidine-1-sulfonamide
CID 47351910
[(2S)-pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone;hydrochloride
CID 66548475
(4-methylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone
CID 63715588

Frequently Asked Questions

What is the IUPAC name of 1,3-dithiolan-2-yl(thiomorpholin-4-yl)methanone?
The IUPAC name of 1,3-dithiolan-2-yl(thiomorpholin-4-yl)methanone (CID 130626770) is 1,3-dithiolan-2-yl(thiomorpholin-4-yl)methanone.
What is the SMILES notation for 1,3-dithiolan-2-yl(thiomorpholin-4-yl)methanone?
The canonical SMILES for 1,3-dithiolan-2-yl(thiomorpholin-4-yl)methanone is O=C(C1SCCS1)N1CCSCC1.
What is the InChIKey of 1,3-dithiolan-2-yl(thiomorpholin-4-yl)methanone?
The InChIKey is ZCGCEOXFYPKCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS3/c10-7(8-12-5-6-13-8)9-1-3-11-4-2-9/h8H,1-6H2.
What are the key properties of 1,3-dithiolan-2-yl(thiomorpholin-4-yl)methanone?
1,3-dithiolan-2-yl(thiomorpholin-4-yl)methanone has a molecular weight of 235.40 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dithiolan-2-yl(thiomorpholin-4-yl)methanone is sourced from PubChem (CID 130626770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).