1-methyl-3-(3-methylsulfanylpropyl)azetidine

C8H17NS — CID 166688597

IUPAC1-methyl-3-(3-methylsulfanylpropyl)azetidine
SMILESCSCCCC1CN(C)C1
InChIInChI=1S/C8H17NS/c1-9-6-8(7-9)4-3-5-10-2/h8H,3-7H2,1-2H3
InChIKeyNSDKERWJQAVERK-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.69
Rot. Bonds4

About 1-methyl-3-(3-methylsulfanylpropyl)azetidine

1-methyl-3-(3-methylsulfanylpropyl)azetidine (PubChem CID 166688597) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 1-methyl-3-(3-methylsulfanylpropyl)azetidine.

Molecular Properties

Compound Name1-methyl-3-(3-methylsulfanylpropyl)azetidine
PubChem CID166688597
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name1-methyl-3-(3-methylsulfanylpropyl)azetidine
SMILESCSCCCC1CN(C)C1
InChIInChI=1S/C8H17NS/c1-9-6-8(7-9)4-3-5-10-2/h8H,3-7H2,1-2H3
InChIKeyNSDKERWJQAVERK-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methyl-3-(3-methylsulfanylpropyl)azetidine?
The IUPAC name of 1-methyl-3-(3-methylsulfanylpropyl)azetidine (CID 166688597) is 1-methyl-3-(3-methylsulfanylpropyl)azetidine.
What is the SMILES notation for 1-methyl-3-(3-methylsulfanylpropyl)azetidine?
The canonical SMILES for 1-methyl-3-(3-methylsulfanylpropyl)azetidine is CSCCCC1CN(C)C1.
What is the InChIKey of 1-methyl-3-(3-methylsulfanylpropyl)azetidine?
The InChIKey is NSDKERWJQAVERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-9-6-8(7-9)4-3-5-10-2/h8H,3-7H2,1-2H3.
What are the key properties of 1-methyl-3-(3-methylsulfanylpropyl)azetidine?
1-methyl-3-(3-methylsulfanylpropyl)azetidine has a molecular weight of 159.30 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-methylsulfanylpropyl)azetidine is sourced from PubChem (CID 166688597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).