1-(methylsulfanyliminomethyl)pyrrolidin-2-imine

C6H11N3S — CID 174029301

IUPAC1-(methylsulfanyliminomethyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1C=NSC
InChIInChI=1S/C6H11N3S/c1-10-8-5-9-4-2-3-6(9)7/h5,7H,2-4H2,1H3/b7-6+,8-5?
InChIKeyVURCRKRFAQIFMA-QPOHHVDYSA-N
MW157.24 g/mol
LogP1.37
Rot. Bonds2

About 1-(methylsulfanyliminomethyl)pyrrolidin-2-imine

1-(methylsulfanyliminomethyl)pyrrolidin-2-imine (PubChem CID 174029301) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is 1-(methylsulfanyliminomethyl)pyrrolidin-2-imine.

Molecular Properties

Compound Name1-(methylsulfanyliminomethyl)pyrrolidin-2-imine
PubChem CID174029301
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC Name1-(methylsulfanyliminomethyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1C=NSC
InChIInChI=1S/C6H11N3S/c1-10-8-5-9-4-2-3-6(9)7/h5,7H,2-4H2,1H3/b7-6+,8-5?
InChIKeyVURCRKRFAQIFMA-QPOHHVDYSA-N
XLogP1.37
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-Methylpyrrolidin-2-imine hydrochloride
CID 12448967
1-Methylpyrrolidin-2-imine;hydroiodide
CID 90654248
1-Pyrrolidin-1-ylethanimine
CID 10855418
1-Methyl-2-pyrrolidinimine
CID 12448966
1-Ethyl-2-iminopyrrolidine
CID 12449021
1-Ethanimidoylpyrrolidine-3-thiol
CID 13324664
1-Ethylpyrrolidin-2-imine;hydrochloride
CID 20331644
1-Propylpyrrolidin-2-imine
CID 43121967
1-Pyrrolidin-1-ylpropan-1-imine
CID 54232644
N-methylsulfanyl-1-pyrrolidin-1-ylethanimine
CID 123991941
1-Methanimidoylpyrrolidin-2-imine
CID 134448136
2-Imino-1-methylpyrrolidine-3-thiol
CID 13892103

Frequently Asked Questions

What is the IUPAC name of 1-(methylsulfanyliminomethyl)pyrrolidin-2-imine?
The IUPAC name of 1-(methylsulfanyliminomethyl)pyrrolidin-2-imine (CID 174029301) is 1-(methylsulfanyliminomethyl)pyrrolidin-2-imine.
What is the SMILES notation for 1-(methylsulfanyliminomethyl)pyrrolidin-2-imine?
The canonical SMILES for 1-(methylsulfanyliminomethyl)pyrrolidin-2-imine is [H]/N=C1\CCCN1C=NSC.
What is the InChIKey of 1-(methylsulfanyliminomethyl)pyrrolidin-2-imine?
The InChIKey is VURCRKRFAQIFMA-QPOHHVDYSA-N. The full InChI is InChI=1S/C6H11N3S/c1-10-8-5-9-4-2-3-6(9)7/h5,7H,2-4H2,1H3/b7-6+,8-5?.
What are the key properties of 1-(methylsulfanyliminomethyl)pyrrolidin-2-imine?
1-(methylsulfanyliminomethyl)pyrrolidin-2-imine has a molecular weight of 157.24 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylsulfanyliminomethyl)pyrrolidin-2-imine is sourced from PubChem (CID 174029301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).