4-tert-butylsulfanylazetidin-2-one

C7H13NOS — CID 14460288

IUPAC4-tert-butylsulfanylazetidin-2-one
SMILESCC(C)(C)SC1CC(=O)N1
InChIInChI=1S/C7H13NOS/c1-7(2,3)10-6-4-5(9)8-6/h6H,4H2,1-3H3,(H,8,9)
InChIKeyJWLWDGOJBAJFQO-UHFFFAOYSA-N
MW159.25 g/mol
LogP1.36
Rot. Bonds1

About 4-tert-butylsulfanylazetidin-2-one

4-tert-butylsulfanylazetidin-2-one (PubChem CID 14460288) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is 4-tert-butylsulfanylazetidin-2-one.

Molecular Properties

Compound Name4-tert-butylsulfanylazetidin-2-one
PubChem CID14460288
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name4-tert-butylsulfanylazetidin-2-one
SMILESCC(C)(C)SC1CC(=O)N1
InChIInChI=1S/C7H13NOS/c1-7(2,3)10-6-4-5(9)8-6/h6H,4H2,1-3H3,(H,8,9)
InChIKeyJWLWDGOJBAJFQO-UHFFFAOYSA-N
XLogP1.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butylsulfanylazetidin-2-one?
The IUPAC name of 4-tert-butylsulfanylazetidin-2-one (CID 14460288) is 4-tert-butylsulfanylazetidin-2-one.
What is the SMILES notation for 4-tert-butylsulfanylazetidin-2-one?
The canonical SMILES for 4-tert-butylsulfanylazetidin-2-one is CC(C)(C)SC1CC(=O)N1.
What is the InChIKey of 4-tert-butylsulfanylazetidin-2-one?
The InChIKey is JWLWDGOJBAJFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c1-7(2,3)10-6-4-5(9)8-6/h6H,4H2,1-3H3,(H,8,9).
What are the key properties of 4-tert-butylsulfanylazetidin-2-one?
4-tert-butylsulfanylazetidin-2-one has a molecular weight of 159.25 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylsulfanylazetidin-2-one is sourced from PubChem (CID 14460288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).