1-(3-methylsulfanylpropyl)azetidin-3-amine

C7H16N2S — CID 65244266

IUPAC1-(3-methylsulfanylpropyl)azetidin-3-amine
SMILESCSCCCN1CC(N)C1
InChIInChI=1S/C7H16N2S/c1-10-4-2-3-9-5-7(8)6-9/h7H,2-6,8H2,1H3
InChIKeyAWINPPNQUMFVST-UHFFFAOYSA-N
MW160.29 g/mol
LogP0.38
Rot. Bonds4

About 1-(3-methylsulfanylpropyl)azetidin-3-amine

1-(3-methylsulfanylpropyl)azetidin-3-amine (PubChem CID 65244266) has the molecular formula C7H16N2S and a molecular weight of 160.29 g/mol. Its IUPAC name is 1-(3-methylsulfanylpropyl)azetidin-3-amine.

Molecular Properties

Compound Name1-(3-methylsulfanylpropyl)azetidin-3-amine
PubChem CID65244266
Molecular FormulaC7H16N2S
Molecular Weight160.29 g/mol
Exact Mass160.10
IUPAC Name1-(3-methylsulfanylpropyl)azetidin-3-amine
SMILESCSCCCN1CC(N)C1
InChIInChI=1S/C7H16N2S/c1-10-4-2-3-9-5-7(8)6-9/h7H,2-6,8H2,1H3
InChIKeyAWINPPNQUMFVST-UHFFFAOYSA-N
XLogP0.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfanylpropyl)azetidin-3-amine?
The IUPAC name of 1-(3-methylsulfanylpropyl)azetidin-3-amine (CID 65244266) is 1-(3-methylsulfanylpropyl)azetidin-3-amine.
What is the SMILES notation for 1-(3-methylsulfanylpropyl)azetidin-3-amine?
The canonical SMILES for 1-(3-methylsulfanylpropyl)azetidin-3-amine is CSCCCN1CC(N)C1.
What is the InChIKey of 1-(3-methylsulfanylpropyl)azetidin-3-amine?
The InChIKey is AWINPPNQUMFVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2S/c1-10-4-2-3-9-5-7(8)6-9/h7H,2-6,8H2,1H3.
What are the key properties of 1-(3-methylsulfanylpropyl)azetidin-3-amine?
1-(3-methylsulfanylpropyl)azetidin-3-amine has a molecular weight of 160.29 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfanylpropyl)azetidin-3-amine is sourced from PubChem (CID 65244266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).