1-(3-methylbutyl)-3-methylsulfinylazetidine

C9H19NOS — CID 59762172

IUPAC1-(3-methylbutyl)-3-methylsulfinylazetidine
SMILESCC(C)CCN1CC(S(C)=O)C1
InChIInChI=1S/C9H19NOS/c1-8(2)4-5-10-6-9(7-10)12(3)11/h8-9H,4-7H2,1-3H3
InChIKeyZICYJGOULDCENR-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.10
Rot. Bonds4

About 1-(3-methylbutyl)-3-methylsulfinylazetidine

1-(3-methylbutyl)-3-methylsulfinylazetidine (PubChem CID 59762172) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 1-(3-methylbutyl)-3-methylsulfinylazetidine.

Molecular Properties

Compound Name1-(3-methylbutyl)-3-methylsulfinylazetidine
PubChem CID59762172
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name1-(3-methylbutyl)-3-methylsulfinylazetidine
SMILESCC(C)CCN1CC(S(C)=O)C1
InChIInChI=1S/C9H19NOS/c1-8(2)4-5-10-6-9(7-10)12(3)11/h8-9H,4-7H2,1-3H3
InChIKeyZICYJGOULDCENR-UHFFFAOYSA-N
XLogP1.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-3-methylsulfinylazetidine?
The IUPAC name of 1-(3-methylbutyl)-3-methylsulfinylazetidine (CID 59762172) is 1-(3-methylbutyl)-3-methylsulfinylazetidine.
What is the SMILES notation for 1-(3-methylbutyl)-3-methylsulfinylazetidine?
The canonical SMILES for 1-(3-methylbutyl)-3-methylsulfinylazetidine is CC(C)CCN1CC(S(C)=O)C1.
What is the InChIKey of 1-(3-methylbutyl)-3-methylsulfinylazetidine?
The InChIKey is ZICYJGOULDCENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-8(2)4-5-10-6-9(7-10)12(3)11/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-(3-methylbutyl)-3-methylsulfinylazetidine?
1-(3-methylbutyl)-3-methylsulfinylazetidine has a molecular weight of 189.32 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-3-methylsulfinylazetidine is sourced from PubChem (CID 59762172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).