3-tert-butyl-3-(1-methylsulfanylethyl)azetidine

C10H21NS — CID 146352750

IUPAC3-tert-butyl-3-(1-methylsulfanylethyl)azetidine
SMILESCSC(C)C1(C(C)(C)C)CNC1
InChIInChI=1S/C10H21NS/c1-8(12-5)10(6-11-7-10)9(2,3)4/h8,11H,6-7H2,1-5H3
InChIKeyXSAYCRDKQLPUNL-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.37
Rot. Bonds2

About 3-tert-butyl-3-(1-methylsulfanylethyl)azetidine

3-tert-butyl-3-(1-methylsulfanylethyl)azetidine (PubChem CID 146352750) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 3-tert-butyl-3-(1-methylsulfanylethyl)azetidine.

Molecular Properties

Compound Name3-tert-butyl-3-(1-methylsulfanylethyl)azetidine
PubChem CID146352750
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name3-tert-butyl-3-(1-methylsulfanylethyl)azetidine
SMILESCSC(C)C1(C(C)(C)C)CNC1
InChIInChI=1S/C10H21NS/c1-8(12-5)10(6-11-7-10)9(2,3)4/h8,11H,6-7H2,1-5H3
InChIKeyXSAYCRDKQLPUNL-UHFFFAOYSA-N
XLogP2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-3-(1-methylsulfanylethyl)azetidine?
The IUPAC name of 3-tert-butyl-3-(1-methylsulfanylethyl)azetidine (CID 146352750) is 3-tert-butyl-3-(1-methylsulfanylethyl)azetidine.
What is the SMILES notation for 3-tert-butyl-3-(1-methylsulfanylethyl)azetidine?
The canonical SMILES for 3-tert-butyl-3-(1-methylsulfanylethyl)azetidine is CSC(C)C1(C(C)(C)C)CNC1.
What is the InChIKey of 3-tert-butyl-3-(1-methylsulfanylethyl)azetidine?
The InChIKey is XSAYCRDKQLPUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-8(12-5)10(6-11-7-10)9(2,3)4/h8,11H,6-7H2,1-5H3.
What are the key properties of 3-tert-butyl-3-(1-methylsulfanylethyl)azetidine?
3-tert-butyl-3-(1-methylsulfanylethyl)azetidine has a molecular weight of 187.35 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-3-(1-methylsulfanylethyl)azetidine is sourced from PubChem (CID 146352750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).