3-ethyl-1-(4-methylsulfanylbutan-2-yl)azetidine

C10H21NS — CID 155141319

IUPAC3-ethyl-1-(4-methylsulfanylbutan-2-yl)azetidine
SMILESCCC1CN(C(C)CCSC)C1
InChIInChI=1S/C10H21NS/c1-4-10-7-11(8-10)9(2)5-6-12-3/h9-10H,4-8H2,1-3H3
InChIKeyMYKQTRUKWPCIDP-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.47
Rot. Bonds5

About 3-ethyl-1-(4-methylsulfanylbutan-2-yl)azetidine

3-ethyl-1-(4-methylsulfanylbutan-2-yl)azetidine (PubChem CID 155141319) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 3-ethyl-1-(4-methylsulfanylbutan-2-yl)azetidine.

Molecular Properties

Compound Name3-ethyl-1-(4-methylsulfanylbutan-2-yl)azetidine
PubChem CID155141319
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name3-ethyl-1-(4-methylsulfanylbutan-2-yl)azetidine
SMILESCCC1CN(C(C)CCSC)C1
InChIInChI=1S/C10H21NS/c1-4-10-7-11(8-10)9(2)5-6-12-3/h9-10H,4-8H2,1-3H3
InChIKeyMYKQTRUKWPCIDP-UHFFFAOYSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-methylsulfanylbutan-2-yl)azetidine?
The IUPAC name of 3-ethyl-1-(4-methylsulfanylbutan-2-yl)azetidine (CID 155141319) is 3-ethyl-1-(4-methylsulfanylbutan-2-yl)azetidine.
What is the SMILES notation for 3-ethyl-1-(4-methylsulfanylbutan-2-yl)azetidine?
The canonical SMILES for 3-ethyl-1-(4-methylsulfanylbutan-2-yl)azetidine is CCC1CN(C(C)CCSC)C1.
What is the InChIKey of 3-ethyl-1-(4-methylsulfanylbutan-2-yl)azetidine?
The InChIKey is MYKQTRUKWPCIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-4-10-7-11(8-10)9(2)5-6-12-3/h9-10H,4-8H2,1-3H3.
What are the key properties of 3-ethyl-1-(4-methylsulfanylbutan-2-yl)azetidine?
3-ethyl-1-(4-methylsulfanylbutan-2-yl)azetidine has a molecular weight of 187.35 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4-methylsulfanylbutan-2-yl)azetidine is sourced from PubChem (CID 155141319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).