1-(2-propan-2-ylsulfanylethyl)azetidine

C8H17NS — CID 137430542

IUPAC1-(2-propan-2-ylsulfanylethyl)azetidine
SMILESCC(C)SCCN1CCC1
InChIInChI=1S/C8H17NS/c1-8(2)10-7-6-9-4-3-5-9/h8H,3-7H2,1-2H3
InChIKeySYBROPPISGLGCK-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.83
Rot. Bonds4

About 1-(2-propan-2-ylsulfanylethyl)azetidine

1-(2-propan-2-ylsulfanylethyl)azetidine (PubChem CID 137430542) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 1-(2-propan-2-ylsulfanylethyl)azetidine.

Molecular Properties

Compound Name1-(2-propan-2-ylsulfanylethyl)azetidine
PubChem CID137430542
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name1-(2-propan-2-ylsulfanylethyl)azetidine
SMILESCC(C)SCCN1CCC1
InChIInChI=1S/C8H17NS/c1-8(2)10-7-6-9-4-3-5-9/h8H,3-7H2,1-2H3
InChIKeySYBROPPISGLGCK-UHFFFAOYSA-N
XLogP1.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylsulfanylethyl)azetidine?
The IUPAC name of 1-(2-propan-2-ylsulfanylethyl)azetidine (CID 137430542) is 1-(2-propan-2-ylsulfanylethyl)azetidine.
What is the SMILES notation for 1-(2-propan-2-ylsulfanylethyl)azetidine?
The canonical SMILES for 1-(2-propan-2-ylsulfanylethyl)azetidine is CC(C)SCCN1CCC1.
What is the InChIKey of 1-(2-propan-2-ylsulfanylethyl)azetidine?
The InChIKey is SYBROPPISGLGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-8(2)10-7-6-9-4-3-5-9/h8H,3-7H2,1-2H3.
What are the key properties of 1-(2-propan-2-ylsulfanylethyl)azetidine?
1-(2-propan-2-ylsulfanylethyl)azetidine has a molecular weight of 159.30 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylsulfanylethyl)azetidine is sourced from PubChem (CID 137430542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).