3-(1-ethylsulfanylethyl)-1-(3-methylbutyl)azetidine

C12H25NS — CID 167098001

IUPAC3-(1-ethylsulfanylethyl)-1-(3-methylbutyl)azetidine
SMILESCCSC(C)C1CN(CCC(C)C)C1
InChIInChI=1S/C12H25NS/c1-5-14-11(4)12-8-13(9-12)7-6-10(2)3/h10-12H,5-9H2,1-4H3
InChIKeyVBYUWRWJLXXNFQ-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.11
Rot. Bonds6

About 3-(1-ethylsulfanylethyl)-1-(3-methylbutyl)azetidine

3-(1-ethylsulfanylethyl)-1-(3-methylbutyl)azetidine (PubChem CID 167098001) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 3-(1-ethylsulfanylethyl)-1-(3-methylbutyl)azetidine.

Molecular Properties

Compound Name3-(1-ethylsulfanylethyl)-1-(3-methylbutyl)azetidine
PubChem CID167098001
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name3-(1-ethylsulfanylethyl)-1-(3-methylbutyl)azetidine
SMILESCCSC(C)C1CN(CCC(C)C)C1
InChIInChI=1S/C12H25NS/c1-5-14-11(4)12-8-13(9-12)7-6-10(2)3/h10-12H,5-9H2,1-4H3
InChIKeyVBYUWRWJLXXNFQ-UHFFFAOYSA-N
XLogP3.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylsulfanylethyl)-1-(3-methylbutyl)azetidine?
The IUPAC name of 3-(1-ethylsulfanylethyl)-1-(3-methylbutyl)azetidine (CID 167098001) is 3-(1-ethylsulfanylethyl)-1-(3-methylbutyl)azetidine.
What is the SMILES notation for 3-(1-ethylsulfanylethyl)-1-(3-methylbutyl)azetidine?
The canonical SMILES for 3-(1-ethylsulfanylethyl)-1-(3-methylbutyl)azetidine is CCSC(C)C1CN(CCC(C)C)C1.
What is the InChIKey of 3-(1-ethylsulfanylethyl)-1-(3-methylbutyl)azetidine?
The InChIKey is VBYUWRWJLXXNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-5-14-11(4)12-8-13(9-12)7-6-10(2)3/h10-12H,5-9H2,1-4H3.
What are the key properties of 3-(1-ethylsulfanylethyl)-1-(3-methylbutyl)azetidine?
3-(1-ethylsulfanylethyl)-1-(3-methylbutyl)azetidine has a molecular weight of 215.41 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylsulfanylethyl)-1-(3-methylbutyl)azetidine is sourced from PubChem (CID 167098001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).