4-methylsulfanyl-3-propan-2-ylazetidin-2-one

C7H13NOS — CID 175632094

IUPAC4-methylsulfanyl-3-propan-2-ylazetidin-2-one
SMILESCSC1NC(=O)C1C(C)C
InChIInChI=1S/C7H13NOS/c1-4(2)5-6(9)8-7(5)10-3/h4-5,7H,1-3H3,(H,8,9)
InChIKeyDIHHMQDBPMUKTA-UHFFFAOYSA-N
MW159.25 g/mol
LogP1.08
Rot. Bonds2

About 4-methylsulfanyl-3-propan-2-ylazetidin-2-one

4-methylsulfanyl-3-propan-2-ylazetidin-2-one (PubChem CID 175632094) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is 4-methylsulfanyl-3-propan-2-ylazetidin-2-one.

Molecular Properties

Compound Name4-methylsulfanyl-3-propan-2-ylazetidin-2-one
PubChem CID175632094
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name4-methylsulfanyl-3-propan-2-ylazetidin-2-one
SMILESCSC1NC(=O)C1C(C)C
InChIInChI=1S/C7H13NOS/c1-4(2)5-6(9)8-7(5)10-3/h4-5,7H,1-3H3,(H,8,9)
InChIKeyDIHHMQDBPMUKTA-UHFFFAOYSA-N
XLogP1.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-3-propan-2-ylazetidin-2-one?
The IUPAC name of 4-methylsulfanyl-3-propan-2-ylazetidin-2-one (CID 175632094) is 4-methylsulfanyl-3-propan-2-ylazetidin-2-one.
What is the SMILES notation for 4-methylsulfanyl-3-propan-2-ylazetidin-2-one?
The canonical SMILES for 4-methylsulfanyl-3-propan-2-ylazetidin-2-one is CSC1NC(=O)C1C(C)C.
What is the InChIKey of 4-methylsulfanyl-3-propan-2-ylazetidin-2-one?
The InChIKey is DIHHMQDBPMUKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c1-4(2)5-6(9)8-7(5)10-3/h4-5,7H,1-3H3,(H,8,9).
What are the key properties of 4-methylsulfanyl-3-propan-2-ylazetidin-2-one?
4-methylsulfanyl-3-propan-2-ylazetidin-2-one has a molecular weight of 159.25 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-3-propan-2-ylazetidin-2-one is sourced from PubChem (CID 175632094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).