azetidin-1-yl-imino-methyl-oxo-λ6-sulfane

C4H10N2OS — CID 170187967

IUPACazetidin-1-yl-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)N1CCC1
InChIInChI=1S/C4H10N2OS/c1-8(5,7)6-3-2-4-6/h5H,2-4H2,1H3
InChIKeyRYSFHYWCQQJHJG-UHFFFAOYSA-N
MW134.20 g/mol
LogP0.28
Rot. Bonds1

About azetidin-1-yl-imino-methyl-oxo-λ6-sulfane

azetidin-1-yl-imino-methyl-oxo-λ6-sulfane (PubChem CID 170187967) has the molecular formula C4H10N2OS and a molecular weight of 134.20 g/mol. Its IUPAC name is azetidin-1-yl-imino-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Nameazetidin-1-yl-imino-methyl-oxo-λ6-sulfane
PubChem CID170187967
Molecular FormulaC4H10N2OS
Molecular Weight134.20 g/mol
Exact Mass134.05
IUPAC Nameazetidin-1-yl-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)N1CCC1
InChIInChI=1S/C4H10N2OS/c1-8(5,7)6-3-2-4-6/h5H,2-4H2,1H3
InChIKeyRYSFHYWCQQJHJG-UHFFFAOYSA-N
XLogP0.28
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,3-Difluoroazetidin-1-yl)-imino-methyl-oxo-lambda6-sulfane
CID 170187968
Azetidin-1-yl-methyl-methylimino-oxo-lambda6-sulfane
CID 122496139
1-(N-amino-S-methylsulfonimidoyl)azetidine
CID 134485230
1-Methylsulfinylazetidine
CID 154986710
N-methyl-N-(methylsulfonimidoyl)ethanamine
CID 167507652
CID 171750558
CID 171750558
1-[(Amino-methyl-oxo-lambda6-sulfanylidene)amino]azetidine
CID 171750559

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-imino-methyl-oxo-λ6-sulfane?
The IUPAC name of azetidin-1-yl-imino-methyl-oxo-λ6-sulfane (CID 170187967) is azetidin-1-yl-imino-methyl-oxo-λ6-sulfane.
What is the SMILES notation for azetidin-1-yl-imino-methyl-oxo-λ6-sulfane?
The canonical SMILES for azetidin-1-yl-imino-methyl-oxo-λ6-sulfane is [H]N=S(C)(=O)N1CCC1.
What is the InChIKey of azetidin-1-yl-imino-methyl-oxo-λ6-sulfane?
The InChIKey is RYSFHYWCQQJHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2OS/c1-8(5,7)6-3-2-4-6/h5H,2-4H2,1H3.
What are the key properties of azetidin-1-yl-imino-methyl-oxo-λ6-sulfane?
azetidin-1-yl-imino-methyl-oxo-λ6-sulfane has a molecular weight of 134.20 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-imino-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 170187967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).