N-methyl-1-methylsulfanylpyrrolidin-2-imine

C6H12N2S — CID 166800640

IUPACN-methyl-1-methylsulfanylpyrrolidin-2-imine
SMILESC/N=C1\CCCN1SC
InChIInChI=1S/C6H12N2S/c1-7-6-4-3-5-8(6)9-2/h3-5H2,1-2H3/b7-6+
InChIKeyHDECKQLARDCTFG-VOTSOKGWSA-N
MW144.24 g/mol
LogP1.39
Rot. Bonds1

About N-methyl-1-methylsulfanylpyrrolidin-2-imine

N-methyl-1-methylsulfanylpyrrolidin-2-imine (PubChem CID 166800640) has the molecular formula C6H12N2S and a molecular weight of 144.24 g/mol. Its IUPAC name is N-methyl-1-methylsulfanylpyrrolidin-2-imine.

Molecular Properties

Compound NameN-methyl-1-methylsulfanylpyrrolidin-2-imine
PubChem CID166800640
Molecular FormulaC6H12N2S
Molecular Weight144.24 g/mol
Exact Mass144.07
IUPAC NameN-methyl-1-methylsulfanylpyrrolidin-2-imine
SMILESC/N=C1\CCCN1SC
InChIInChI=1S/C6H12N2S/c1-7-6-4-3-5-8(6)9-2/h3-5H2,1-2H3/b7-6+
InChIKeyHDECKQLARDCTFG-VOTSOKGWSA-N
XLogP1.39
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methanamine, N-(1-methyl-2-pyrrolidinylidene)-
CID 574377
N-ethyl-1-methylpyrrolidin-2-imine
CID 12896054
(1-Methylpyrrolidin-2-ylidene)cyanamide
CID 379672
[6,7-Dihydro-5H-pyrrolo[2,1-c][1,2,4]thiadiazol-(3)-ylidene]-methyl-amine
CID 5323972
N-methylpyrrolidin-1-id-2-imine;rubidium(1+)
CID 59725971
Dimethyl-(1-methylpyrrolidin-2-ylidene)azanium
CID 85690367
1-ethyl-N-methylpyrrolidin-2-imine
CID 89517110
N-methylsulfanyl-1-pyrrolidin-1-ylethanimine
CID 123991941
N,1-dimethylpyrrolidin-2-imine;methane
CID 145658411
1-Methyl-5-methyliminopyrrolidine-3-thiol
CID 147486552
1-(2-Methyliminopyrrolidin-1-yl)ethanethiol
CID 169679715
3,6,7,8-tetrahydro-2H-pyrrolo[1,2-b][1,2,4]thiadiazine
CID 175747989

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-methylsulfanylpyrrolidin-2-imine?
The IUPAC name of N-methyl-1-methylsulfanylpyrrolidin-2-imine (CID 166800640) is N-methyl-1-methylsulfanylpyrrolidin-2-imine.
What is the SMILES notation for N-methyl-1-methylsulfanylpyrrolidin-2-imine?
The canonical SMILES for N-methyl-1-methylsulfanylpyrrolidin-2-imine is C/N=C1\CCCN1SC.
What is the InChIKey of N-methyl-1-methylsulfanylpyrrolidin-2-imine?
The InChIKey is HDECKQLARDCTFG-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H12N2S/c1-7-6-4-3-5-8(6)9-2/h3-5H2,1-2H3/b7-6+.
What are the key properties of N-methyl-1-methylsulfanylpyrrolidin-2-imine?
N-methyl-1-methylsulfanylpyrrolidin-2-imine has a molecular weight of 144.24 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-methylsulfanylpyrrolidin-2-imine is sourced from PubChem (CID 166800640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).