3-methylsulfanyl-1-propan-2-ylazetidine

C7H15NS — CID 59706151

IUPAC3-methylsulfanyl-1-propan-2-ylazetidine
SMILESCSC1CN(C(C)C)C1
InChIInChI=1S/C7H15NS/c1-6(2)8-4-7(5-8)9-3/h6-7H,4-5H2,1-3H3
InChIKeyKEYDRAXGAWRELB-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.44
Rot. Bonds2

About 3-methylsulfanyl-1-propan-2-ylazetidine

3-methylsulfanyl-1-propan-2-ylazetidine (PubChem CID 59706151) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 3-methylsulfanyl-1-propan-2-ylazetidine.

Molecular Properties

Compound Name3-methylsulfanyl-1-propan-2-ylazetidine
PubChem CID59706151
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name3-methylsulfanyl-1-propan-2-ylazetidine
SMILESCSC1CN(C(C)C)C1
InChIInChI=1S/C7H15NS/c1-6(2)8-4-7(5-8)9-3/h6-7H,4-5H2,1-3H3
InChIKeyKEYDRAXGAWRELB-UHFFFAOYSA-N
XLogP1.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-1-propan-2-ylazetidine?
The IUPAC name of 3-methylsulfanyl-1-propan-2-ylazetidine (CID 59706151) is 3-methylsulfanyl-1-propan-2-ylazetidine.
What is the SMILES notation for 3-methylsulfanyl-1-propan-2-ylazetidine?
The canonical SMILES for 3-methylsulfanyl-1-propan-2-ylazetidine is CSC1CN(C(C)C)C1.
What is the InChIKey of 3-methylsulfanyl-1-propan-2-ylazetidine?
The InChIKey is KEYDRAXGAWRELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-6(2)8-4-7(5-8)9-3/h6-7H,4-5H2,1-3H3.
What are the key properties of 3-methylsulfanyl-1-propan-2-ylazetidine?
3-methylsulfanyl-1-propan-2-ylazetidine has a molecular weight of 145.27 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-1-propan-2-ylazetidine is sourced from PubChem (CID 59706151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).