1-(3-methylpentyl)-3-methylsulfinylazetidine

C10H21NOS — CID 71278091

IUPAC1-(3-methylpentyl)-3-methylsulfinylazetidine
SMILESCCC(C)CCN1CC(S(C)=O)C1
InChIInChI=1S/C10H21NOS/c1-4-9(2)5-6-11-7-10(8-11)13(3)12/h9-10H,4-8H2,1-3H3
InChIKeyPMBZXCOTIQYWDA-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.49
Rot. Bonds5

About 1-(3-methylpentyl)-3-methylsulfinylazetidine

1-(3-methylpentyl)-3-methylsulfinylazetidine (PubChem CID 71278091) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 1-(3-methylpentyl)-3-methylsulfinylazetidine.

Molecular Properties

Compound Name1-(3-methylpentyl)-3-methylsulfinylazetidine
PubChem CID71278091
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name1-(3-methylpentyl)-3-methylsulfinylazetidine
SMILESCCC(C)CCN1CC(S(C)=O)C1
InChIInChI=1S/C10H21NOS/c1-4-9(2)5-6-11-7-10(8-11)13(3)12/h9-10H,4-8H2,1-3H3
InChIKeyPMBZXCOTIQYWDA-UHFFFAOYSA-N
XLogP1.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpentyl)-3-methylsulfinylazetidine?
The IUPAC name of 1-(3-methylpentyl)-3-methylsulfinylazetidine (CID 71278091) is 1-(3-methylpentyl)-3-methylsulfinylazetidine.
What is the SMILES notation for 1-(3-methylpentyl)-3-methylsulfinylazetidine?
The canonical SMILES for 1-(3-methylpentyl)-3-methylsulfinylazetidine is CCC(C)CCN1CC(S(C)=O)C1.
What is the InChIKey of 1-(3-methylpentyl)-3-methylsulfinylazetidine?
The InChIKey is PMBZXCOTIQYWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-4-9(2)5-6-11-7-10(8-11)13(3)12/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-(3-methylpentyl)-3-methylsulfinylazetidine?
1-(3-methylpentyl)-3-methylsulfinylazetidine has a molecular weight of 203.35 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpentyl)-3-methylsulfinylazetidine is sourced from PubChem (CID 71278091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).