1-methyl-3-methylsulfanylazetidine

C5H11NS — CID 59155095

IUPAC1-methyl-3-methylsulfanylazetidine
SMILESCSC1CN(C)C1
InChIInChI=1S/C5H11NS/c1-6-3-5(4-6)7-2/h5H,3-4H2,1-2H3
InChIKeyBMNFYVXFJWXKNK-UHFFFAOYSA-N
MW117.22 g/mol
LogP0.66
Rot. Bonds1

About 1-methyl-3-methylsulfanylazetidine

1-methyl-3-methylsulfanylazetidine (PubChem CID 59155095) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is 1-methyl-3-methylsulfanylazetidine.

Molecular Properties

Compound Name1-methyl-3-methylsulfanylazetidine
PubChem CID59155095
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Name1-methyl-3-methylsulfanylazetidine
SMILESCSC1CN(C)C1
InChIInChI=1S/C5H11NS/c1-6-3-5(4-6)7-2/h5H,3-4H2,1-2H3
InChIKeyBMNFYVXFJWXKNK-UHFFFAOYSA-N
XLogP0.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethylthietan-3-amine
CID 123523007
N,N-Dimethyl-3-(methylsulfanyl)propan-1-amine
CID 20573898
S,N,N,N-tetra-methyl-cysteamine
CID 85941622
3-Fluoro-1-(3-methylsulfanylpropyl)azetidine
CID 170133121
1-(2-Ethylsulfanylethyl)-3-fluoroazetidine
CID 126992003
1,3-Dimethyl-3-(methylsulfanylmethyl)azetidine
CID 21041050
3-Tert-butylsulfanyl-1-methylazetidine
CID 59522762
3-Methylsulfanyl-1-propan-2-ylazetidine
CID 59706151
3-Methylsulfanyl-1-propylazetidine
CID 66695251
1-Ethylazetidine-3-thiol
CID 88954965
1-(Azetidin-1-yl)ethanethiol
CID 91342931
1-(2-Methylsulfanylethyl)azetidine
CID 123242897

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-methylsulfanylazetidine?
The IUPAC name of 1-methyl-3-methylsulfanylazetidine (CID 59155095) is 1-methyl-3-methylsulfanylazetidine.
What is the SMILES notation for 1-methyl-3-methylsulfanylazetidine?
The canonical SMILES for 1-methyl-3-methylsulfanylazetidine is CSC1CN(C)C1.
What is the InChIKey of 1-methyl-3-methylsulfanylazetidine?
The InChIKey is BMNFYVXFJWXKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS/c1-6-3-5(4-6)7-2/h5H,3-4H2,1-2H3.
What are the key properties of 1-methyl-3-methylsulfanylazetidine?
1-methyl-3-methylsulfanylazetidine has a molecular weight of 117.22 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-methylsulfanylazetidine is sourced from PubChem (CID 59155095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).