1-methyl-5-methyliminopyrrolidine-3-thiol

C6H12N2S — CID 147486552

IUPAC1-methyl-5-methyliminopyrrolidine-3-thiol
SMILESC/N=C1\CC(S)CN1C
InChIInChI=1S/C6H12N2S/c1-7-6-3-5(9)4-8(6)2/h5,9H,3-4H2,1-2H3/b7-6+
InChIKeyFERPXMPKUFQPDI-VOTSOKGWSA-N
MW144.24 g/mol
LogP0.65
Rot. Bonds

About 1-methyl-5-methyliminopyrrolidine-3-thiol

1-methyl-5-methyliminopyrrolidine-3-thiol (PubChem CID 147486552) has the molecular formula C6H12N2S and a molecular weight of 144.24 g/mol. Its IUPAC name is 1-methyl-5-methyliminopyrrolidine-3-thiol.

Molecular Properties

Compound Name1-methyl-5-methyliminopyrrolidine-3-thiol
PubChem CID147486552
Molecular FormulaC6H12N2S
Molecular Weight144.24 g/mol
Exact Mass144.07
IUPAC Name1-methyl-5-methyliminopyrrolidine-3-thiol
SMILESC/N=C1\CC(S)CN1C
InChIInChI=1S/C6H12N2S/c1-7-6-3-5(9)4-8(6)2/h5,9H,3-4H2,1-2H3/b7-6+
InChIKeyFERPXMPKUFQPDI-VOTSOKGWSA-N
XLogP0.65
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', '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-Ethanimidoylpyrrolidine-3-thiol
CID 13324664
Dimethyl-(1-methylpyrrolidin-2-ylidene)azanium
CID 85690367
1-ethyl-N-methylpyrrolidin-2-imine
CID 89517110
5-(Methylamino)-3,4-dihydro-2H-pyrrole-4-thiol
CID 137175526
2,3,4,6,7,8-Hexahydropyrrolo[1,2-a]pyrimidine-3-thiol
CID 154515773
2,3,4,6,7,8-Hexahydropyrrolo[1,2-a]pyrimidin-2-ylmethanethiol
CID 154517615
4-Methyl-4,6,7,8-tetrahydropyrrolo[1,2-a][1,3,5]triazine-7-thiol
CID 163827313
N-(2-methylsulfanylethyl)-1-(methylsulfanylmethyl)pyrrolidin-2-imine
CID 166800563
N-methyl-1-methylsulfanylpyrrolidin-2-imine
CID 166800640
1-(2-Methyliminopyrrolidin-1-yl)ethanethiol
CID 169679715

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-methyliminopyrrolidine-3-thiol?
The IUPAC name of 1-methyl-5-methyliminopyrrolidine-3-thiol (CID 147486552) is 1-methyl-5-methyliminopyrrolidine-3-thiol.
What is the SMILES notation for 1-methyl-5-methyliminopyrrolidine-3-thiol?
The canonical SMILES for 1-methyl-5-methyliminopyrrolidine-3-thiol is C/N=C1\CC(S)CN1C.
What is the InChIKey of 1-methyl-5-methyliminopyrrolidine-3-thiol?
The InChIKey is FERPXMPKUFQPDI-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H12N2S/c1-7-6-3-5(9)4-8(6)2/h5,9H,3-4H2,1-2H3/b7-6+.
What are the key properties of 1-methyl-5-methyliminopyrrolidine-3-thiol?
1-methyl-5-methyliminopyrrolidine-3-thiol has a molecular weight of 144.24 g/mol, XLogP of 0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-methyliminopyrrolidine-3-thiol is sourced from PubChem (CID 147486552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).