1-methylazetidine-3-sulfinamide

C4H10N2OS — CID 122418014

IUPAC1-methylazetidine-3-sulfinamide
SMILESCN1CC(S(N)=O)C1
InChIInChI=1S/C4H10N2OS/c1-6-2-4(3-6)8(5)7/h4H,2-3,5H2,1H3
InChIKeyFOBLPXVDHJWOCW-UHFFFAOYSA-N
MW134.20 g/mol
LogP-1.08
Rot. Bonds1

About 1-methylazetidine-3-sulfinamide

1-methylazetidine-3-sulfinamide (PubChem CID 122418014) has the molecular formula C4H10N2OS and a molecular weight of 134.20 g/mol. Its IUPAC name is 1-methylazetidine-3-sulfinamide.

Molecular Properties

Compound Name1-methylazetidine-3-sulfinamide
PubChem CID122418014
Molecular FormulaC4H10N2OS
Molecular Weight134.20 g/mol
Exact Mass134.05
IUPAC Name1-methylazetidine-3-sulfinamide
SMILESCN1CC(S(N)=O)C1
InChIInChI=1S/C4H10N2OS/c1-6-2-4(3-6)8(5)7/h4H,2-3,5H2,1H3
InChIKeyFOBLPXVDHJWOCW-UHFFFAOYSA-N
XLogP-1.08
TPSA46.33 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 ≤ 5-1.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylazetidine-3-sulfinamide?
The IUPAC name of 1-methylazetidine-3-sulfinamide (CID 122418014) is 1-methylazetidine-3-sulfinamide.
What is the SMILES notation for 1-methylazetidine-3-sulfinamide?
The canonical SMILES for 1-methylazetidine-3-sulfinamide is CN1CC(S(N)=O)C1.
What is the InChIKey of 1-methylazetidine-3-sulfinamide?
The InChIKey is FOBLPXVDHJWOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2OS/c1-6-2-4(3-6)8(5)7/h4H,2-3,5H2,1H3.
What are the key properties of 1-methylazetidine-3-sulfinamide?
1-methylazetidine-3-sulfinamide has a molecular weight of 134.20 g/mol, XLogP of -1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylazetidine-3-sulfinamide is sourced from PubChem (CID 122418014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).