1-(N-amino-S-methylsulfonimidoyl)pyrrolidine

C5H13N3OS — CID 134485232

IUPAC1-(N-amino-S-methylsulfonimidoyl)pyrrolidine
SMILESCS(=O)(=NN)N1CCCC1
InChIInChI=1S/C5H13N3OS/c1-10(9,7-6)8-4-2-3-5-8/h2-6H2,1H3
InChIKeyNACCVHILKMDCTC-UHFFFAOYSA-N
MW163.25 g/mol
LogP-0.03
Rot. Bonds1

About 1-(N-amino-S-methylsulfonimidoyl)pyrrolidine

1-(N-amino-S-methylsulfonimidoyl)pyrrolidine (PubChem CID 134485232) has the molecular formula C5H13N3OS and a molecular weight of 163.25 g/mol. Its IUPAC name is 1-(N-amino-S-methylsulfonimidoyl)pyrrolidine.

Molecular Properties

Compound Name1-(N-amino-S-methylsulfonimidoyl)pyrrolidine
PubChem CID134485232
Molecular FormulaC5H13N3OS
Molecular Weight163.25 g/mol
Exact Mass163.08
IUPAC Name1-(N-amino-S-methylsulfonimidoyl)pyrrolidine
SMILESCS(=O)(=NN)N1CCCC1
InChIInChI=1S/C5H13N3OS/c1-10(9,7-6)8-4-2-3-5-8/h2-6H2,1H3
InChIKeyNACCVHILKMDCTC-UHFFFAOYSA-N
XLogP-0.03
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.25
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(N-amino-S-methylsulfonimidoyl)pyrrolidine?
The IUPAC name of 1-(N-amino-S-methylsulfonimidoyl)pyrrolidine (CID 134485232) is 1-(N-amino-S-methylsulfonimidoyl)pyrrolidine.
What is the SMILES notation for 1-(N-amino-S-methylsulfonimidoyl)pyrrolidine?
The canonical SMILES for 1-(N-amino-S-methylsulfonimidoyl)pyrrolidine is CS(=O)(=NN)N1CCCC1.
What is the InChIKey of 1-(N-amino-S-methylsulfonimidoyl)pyrrolidine?
The InChIKey is NACCVHILKMDCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3OS/c1-10(9,7-6)8-4-2-3-5-8/h2-6H2,1H3.
What are the key properties of 1-(N-amino-S-methylsulfonimidoyl)pyrrolidine?
1-(N-amino-S-methylsulfonimidoyl)pyrrolidine has a molecular weight of 163.25 g/mol, XLogP of -0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-amino-S-methylsulfonimidoyl)pyrrolidine is sourced from PubChem (CID 134485232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).