3-(methylsulfanylmethyl)-1-propan-2-ylazetidine

C8H17NS — CID 122414296

IUPAC3-(methylsulfanylmethyl)-1-propan-2-ylazetidine
SMILESCSCC1CN(C(C)C)C1
InChIInChI=1S/C8H17NS/c1-7(2)9-4-8(5-9)6-10-3/h7-8H,4-6H2,1-3H3
InChIKeyUHBIJHBVIAQXDJ-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.69
Rot. Bonds3

About 3-(methylsulfanylmethyl)-1-propan-2-ylazetidine

3-(methylsulfanylmethyl)-1-propan-2-ylazetidine (PubChem CID 122414296) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 3-(methylsulfanylmethyl)-1-propan-2-ylazetidine.

Molecular Properties

Compound Name3-(methylsulfanylmethyl)-1-propan-2-ylazetidine
PubChem CID122414296
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name3-(methylsulfanylmethyl)-1-propan-2-ylazetidine
SMILESCSCC1CN(C(C)C)C1
InChIInChI=1S/C8H17NS/c1-7(2)9-4-8(5-9)6-10-3/h7-8H,4-6H2,1-3H3
InChIKeyUHBIJHBVIAQXDJ-UHFFFAOYSA-N
XLogP1.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfanylmethyl)-1-propan-2-ylazetidine?
The IUPAC name of 3-(methylsulfanylmethyl)-1-propan-2-ylazetidine (CID 122414296) is 3-(methylsulfanylmethyl)-1-propan-2-ylazetidine.
What is the SMILES notation for 3-(methylsulfanylmethyl)-1-propan-2-ylazetidine?
The canonical SMILES for 3-(methylsulfanylmethyl)-1-propan-2-ylazetidine is CSCC1CN(C(C)C)C1.
What is the InChIKey of 3-(methylsulfanylmethyl)-1-propan-2-ylazetidine?
The InChIKey is UHBIJHBVIAQXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-7(2)9-4-8(5-9)6-10-3/h7-8H,4-6H2,1-3H3.
What are the key properties of 3-(methylsulfanylmethyl)-1-propan-2-ylazetidine?
3-(methylsulfanylmethyl)-1-propan-2-ylazetidine has a molecular weight of 159.30 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfanylmethyl)-1-propan-2-ylazetidine is sourced from PubChem (CID 122414296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).