4-(3-propan-2-ylazetidin-1-yl)thiane 1-oxide

C11H21NOS — CID 58054366

IUPAC4-(3-propan-2-ylazetidin-1-yl)thiane 1-oxide
SMILESCC(C)C1CN(C2CCS(=O)CC2)C1
InChIInChI=1S/C11H21NOS/c1-9(2)10-7-12(8-10)11-3-5-14(13)6-4-11/h9-11H,3-8H2,1-2H3
InChIKeyGOQSCEUULXEEOJ-UHFFFAOYSA-N
MW215.36 g/mol
LogP1.49
Rot. Bonds2

About 4-(3-propan-2-ylazetidin-1-yl)thiane 1-oxide

4-(3-propan-2-ylazetidin-1-yl)thiane 1-oxide (PubChem CID 58054366) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 4-(3-propan-2-ylazetidin-1-yl)thiane 1-oxide.

Molecular Properties

Compound Name4-(3-propan-2-ylazetidin-1-yl)thiane 1-oxide
PubChem CID58054366
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name4-(3-propan-2-ylazetidin-1-yl)thiane 1-oxide
SMILESCC(C)C1CN(C2CCS(=O)CC2)C1
InChIInChI=1S/C11H21NOS/c1-9(2)10-7-12(8-10)11-3-5-14(13)6-4-11/h9-11H,3-8H2,1-2H3
InChIKeyGOQSCEUULXEEOJ-UHFFFAOYSA-N
XLogP1.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-propan-2-ylazetidin-1-yl)thiane 1-oxide?
The IUPAC name of 4-(3-propan-2-ylazetidin-1-yl)thiane 1-oxide (CID 58054366) is 4-(3-propan-2-ylazetidin-1-yl)thiane 1-oxide.
What is the SMILES notation for 4-(3-propan-2-ylazetidin-1-yl)thiane 1-oxide?
The canonical SMILES for 4-(3-propan-2-ylazetidin-1-yl)thiane 1-oxide is CC(C)C1CN(C2CCS(=O)CC2)C1.
What is the InChIKey of 4-(3-propan-2-ylazetidin-1-yl)thiane 1-oxide?
The InChIKey is GOQSCEUULXEEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-9(2)10-7-12(8-10)11-3-5-14(13)6-4-11/h9-11H,3-8H2,1-2H3.
What are the key properties of 4-(3-propan-2-ylazetidin-1-yl)thiane 1-oxide?
4-(3-propan-2-ylazetidin-1-yl)thiane 1-oxide has a molecular weight of 215.36 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propan-2-ylazetidin-1-yl)thiane 1-oxide is sourced from PubChem (CID 58054366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).