1-(azetidin-1-yl)-2-methylsulfanylethanone

C6H11NOS — CID 128928827

IUPAC1-(azetidin-1-yl)-2-methylsulfanylethanone
SMILESCSCC(=O)N1CCC1
InChIInChI=1S/C6H11NOS/c1-9-5-6(8)7-3-2-4-7/h2-5H2,1H3
InChIKeyDQWFZPIAYGAPDI-UHFFFAOYSA-N
MW145.23 g/mol
LogP0.58
Rot. Bonds2

About 1-(azetidin-1-yl)-2-methylsulfanylethanone

1-(azetidin-1-yl)-2-methylsulfanylethanone (PubChem CID 128928827) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2-methylsulfanylethanone.

Molecular Properties

Compound Name1-(azetidin-1-yl)-2-methylsulfanylethanone
PubChem CID128928827
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Name1-(azetidin-1-yl)-2-methylsulfanylethanone
SMILESCSCC(=O)N1CCC1
InChIInChI=1S/C6H11NOS/c1-9-5-6(8)7-3-2-4-7/h2-5H2,1H3
InChIKeyDQWFZPIAYGAPDI-UHFFFAOYSA-N
XLogP0.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aziridin-1-yl)-2-methylsulfanylethanone
CID 130677613
1-(3-methylpiperidin-1-yl)-2-methylsulfanylethanone
CID 42910082
3-[2-[4-(2-methylsulfanylacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 137336385
2-methylsulfanyl-1-phenylethanone;2-methylsulfanyl-1-piperidin-1-ylethanone
CID 162075067
1-(3-bromopiperidin-1-yl)-2-methylsulfanylethanone
CID 80660566
4-(2-methylsulfanylacetyl)piperazine-1-sulfonamide
CID 61130329
2-(2,3-difluorophenyl)-1-[4-(2-methylsulfanylacetyl)-1,4-diazepan-1-yl]ethanone
CID 137344531
2-[4-(2-methylsulfanylacetyl)piperazin-1-yl]propanoic acid
CID 62317940
2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1-piperidin-1-ylethanone
CID 14367450
1-(3,4-dihydroxypyrrolidin-1-yl)-2-methylsulfanylethanone
CID 106671457
1-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-2-methylsulfanylethanone
CID 70756431
(3R)-3-ethyl-1-(2-methylsulfanylacetyl)piperidine-3-carboxylic acid
CID 95017438

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-2-methylsulfanylethanone?
The IUPAC name of 1-(azetidin-1-yl)-2-methylsulfanylethanone (CID 128928827) is 1-(azetidin-1-yl)-2-methylsulfanylethanone.
What is the SMILES notation for 1-(azetidin-1-yl)-2-methylsulfanylethanone?
The canonical SMILES for 1-(azetidin-1-yl)-2-methylsulfanylethanone is CSCC(=O)N1CCC1.
What is the InChIKey of 1-(azetidin-1-yl)-2-methylsulfanylethanone?
The InChIKey is DQWFZPIAYGAPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS/c1-9-5-6(8)7-3-2-4-7/h2-5H2,1H3.
What are the key properties of 1-(azetidin-1-yl)-2-methylsulfanylethanone?
1-(azetidin-1-yl)-2-methylsulfanylethanone has a molecular weight of 145.23 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-2-methylsulfanylethanone is sourced from PubChem (CID 128928827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).