1-[(amino-methyl-oxo-λ6-sulfanylidene)amino]azetidine

C4H11N3OS — CID 171750559

IUPAC1-[(amino-methyl-oxo-λ6-sulfanylidene)amino]azetidine
SMILESCS(N)(=O)=NN1CCC1
InChIInChI=1S/C4H11N3OS/c1-9(5,8)6-7-3-2-4-7/h2-4H2,1H3,(H2,5,6,8)
InChIKeyATTFGENCUJMVRJ-UHFFFAOYSA-N
MW149.22 g/mol
LogP-0.42
Rot. Bonds1

About 1-[(amino-methyl-oxo-λ6-sulfanylidene)amino]azetidine

1-[(amino-methyl-oxo-λ6-sulfanylidene)amino]azetidine (PubChem CID 171750559) has the molecular formula C4H11N3OS and a molecular weight of 149.22 g/mol. Its IUPAC name is 1-[(amino-methyl-oxo-λ6-sulfanylidene)amino]azetidine.

Molecular Properties

Compound Name1-[(amino-methyl-oxo-λ6-sulfanylidene)amino]azetidine
PubChem CID171750559
Molecular FormulaC4H11N3OS
Molecular Weight149.22 g/mol
Exact Mass149.06
IUPAC Name1-[(amino-methyl-oxo-λ6-sulfanylidene)amino]azetidine
SMILESCS(N)(=O)=NN1CCC1
InChIInChI=1S/C4H11N3OS/c1-9(5,8)6-7-3-2-4-7/h2-4H2,1H3,(H2,5,6,8)
InChIKeyATTFGENCUJMVRJ-UHFFFAOYSA-N
XLogP-0.42
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(azetidin-1-yl)methanesulfonamide
CID 89407478
Azetidin-1-yl-methyl-methylimino-oxo-lambda6-sulfane
CID 122496139
1-(N-amino-S-methylsulfonimidoyl)azetidine
CID 134485230
1-Methylsulfinylazetidine
CID 154986710
Azetidin-1-yl-imino-methyl-oxo-lambda6-sulfane
CID 170187967
CID 171750558
CID 171750558

Frequently Asked Questions

What is the IUPAC name of 1-[(amino-methyl-oxo-λ6-sulfanylidene)amino]azetidine?
The IUPAC name of 1-[(amino-methyl-oxo-λ6-sulfanylidene)amino]azetidine (CID 171750559) is 1-[(amino-methyl-oxo-λ6-sulfanylidene)amino]azetidine.
What is the SMILES notation for 1-[(amino-methyl-oxo-λ6-sulfanylidene)amino]azetidine?
The canonical SMILES for 1-[(amino-methyl-oxo-λ6-sulfanylidene)amino]azetidine is CS(N)(=O)=NN1CCC1.
What is the InChIKey of 1-[(amino-methyl-oxo-λ6-sulfanylidene)amino]azetidine?
The InChIKey is ATTFGENCUJMVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3OS/c1-9(5,8)6-7-3-2-4-7/h2-4H2,1H3,(H2,5,6,8).
What are the key properties of 1-[(amino-methyl-oxo-λ6-sulfanylidene)amino]azetidine?
1-[(amino-methyl-oxo-λ6-sulfanylidene)amino]azetidine has a molecular weight of 149.22 g/mol, XLogP of -0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(amino-methyl-oxo-λ6-sulfanylidene)amino]azetidine is sourced from PubChem (CID 171750559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).