1-methyl-3-propan-2-ylsulfanylazetidine

C7H15NS — CID 137430044

IUPAC1-methyl-3-propan-2-ylsulfanylazetidine
SMILESCC(C)SC1CN(C)C1
InChIInChI=1S/C7H15NS/c1-6(2)9-7-4-8(3)5-7/h6-7H,4-5H2,1-3H3
InChIKeyQSWGXTYOOLEMNR-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.44
Rot. Bonds2

About 1-methyl-3-propan-2-ylsulfanylazetidine

1-methyl-3-propan-2-ylsulfanylazetidine (PubChem CID 137430044) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 1-methyl-3-propan-2-ylsulfanylazetidine.

Molecular Properties

Compound Name1-methyl-3-propan-2-ylsulfanylazetidine
PubChem CID137430044
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name1-methyl-3-propan-2-ylsulfanylazetidine
SMILESCC(C)SC1CN(C)C1
InChIInChI=1S/C7H15NS/c1-6(2)9-7-4-8(3)5-7/h6-7H,4-5H2,1-3H3
InChIKeyQSWGXTYOOLEMNR-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 1-methyl-3-propan-2-ylsulfanylazetidine?
The IUPAC name of 1-methyl-3-propan-2-ylsulfanylazetidine (CID 137430044) is 1-methyl-3-propan-2-ylsulfanylazetidine.
What is the SMILES notation for 1-methyl-3-propan-2-ylsulfanylazetidine?
The canonical SMILES for 1-methyl-3-propan-2-ylsulfanylazetidine is CC(C)SC1CN(C)C1.
What is the InChIKey of 1-methyl-3-propan-2-ylsulfanylazetidine?
The InChIKey is QSWGXTYOOLEMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-6(2)9-7-4-8(3)5-7/h6-7H,4-5H2,1-3H3.
What are the key properties of 1-methyl-3-propan-2-ylsulfanylazetidine?
1-methyl-3-propan-2-ylsulfanylazetidine 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 1-methyl-3-propan-2-ylsulfanylazetidine is sourced from PubChem (CID 137430044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).