3-(propan-2-ylsulfinylmethyl)azetidine

C7H15NOS — CID 81197371

IUPAC3-(propan-2-ylsulfinylmethyl)azetidine
SMILESCC(C)S(=O)CC1CNC1
InChIInChI=1S/C7H15NOS/c1-6(2)10(9)5-7-3-8-4-7/h6-8H,3-5H2,1-2H3
InChIKeyYFJWGGOXAWXPQV-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.36
Rot. Bonds3

About 3-(propan-2-ylsulfinylmethyl)azetidine

3-(propan-2-ylsulfinylmethyl)azetidine (PubChem CID 81197371) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 3-(propan-2-ylsulfinylmethyl)azetidine.

Molecular Properties

Compound Name3-(propan-2-ylsulfinylmethyl)azetidine
PubChem CID81197371
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name3-(propan-2-ylsulfinylmethyl)azetidine
SMILESCC(C)S(=O)CC1CNC1
InChIInChI=1S/C7H15NOS/c1-6(2)10(9)5-7-3-8-4-7/h6-8H,3-5H2,1-2H3
InChIKeyYFJWGGOXAWXPQV-UHFFFAOYSA-N
XLogP0.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylsulfinylmethyl)azetidine?
The IUPAC name of 3-(propan-2-ylsulfinylmethyl)azetidine (CID 81197371) is 3-(propan-2-ylsulfinylmethyl)azetidine.
What is the SMILES notation for 3-(propan-2-ylsulfinylmethyl)azetidine?
The canonical SMILES for 3-(propan-2-ylsulfinylmethyl)azetidine is CC(C)S(=O)CC1CNC1.
What is the InChIKey of 3-(propan-2-ylsulfinylmethyl)azetidine?
The InChIKey is YFJWGGOXAWXPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-6(2)10(9)5-7-3-8-4-7/h6-8H,3-5H2,1-2H3.
What are the key properties of 3-(propan-2-ylsulfinylmethyl)azetidine?
3-(propan-2-ylsulfinylmethyl)azetidine has a molecular weight of 161.27 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylsulfinylmethyl)azetidine is sourced from PubChem (CID 81197371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).