2-methyliminopyrrolidine-3-thiol

C5H10N2S — CID 137175526

IUPAC2-methyliminopyrrolidine-3-thiol
SMILESC/N=C1\NCCC1S
InChIInChI=1S/C5H10N2S/c1-6-5-4(8)2-3-7-5/h4,8H,2-3H2,1H3,(H,6,7)
InChIKeyPTGSGZJGTRGAIB-UHFFFAOYSA-N
MW130.22 g/mol
LogP0.31
Rot. Bonds

About 2-methyliminopyrrolidine-3-thiol

2-methyliminopyrrolidine-3-thiol (PubChem CID 137175526) has the molecular formula C5H10N2S and a molecular weight of 130.22 g/mol. Its IUPAC name is 2-methyliminopyrrolidine-3-thiol.

Molecular Properties

Compound Name2-methyliminopyrrolidine-3-thiol
PubChem CID137175526
Molecular FormulaC5H10N2S
Molecular Weight130.22 g/mol
Exact Mass130.06
IUPAC Name2-methyliminopyrrolidine-3-thiol
SMILESC/N=C1\NCCC1S
InChIInChI=1S/C5H10N2S/c1-6-5-4(8)2-3-7-5/h4,8H,2-3H2,1H3,(H,6,7)
InChIKeyPTGSGZJGTRGAIB-UHFFFAOYSA-N
XLogP0.31
TPSA24.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.22
LogP ≤ 50.31
H-Bond Donors ≤ 52
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

(4,5-Dihydro-3H-pyrrol-2-yl)-methyl-amine
CID 135569018
2-(4,5-dihydro-1H-imidazol-2-yl)ethanethiol
CID 14960727
2-Methyl-1,4,5,6-tetrahydropyrimidine-5-thiol
CID 88387884
[3-(4,5-dihydro-1H-imidazol-2-yl)propylamino]methanethiol
CID 123491315
1-(4,5-dihydro-1H-imidazol-2-yl)ethanethiol
CID 123603312
1-Methyl-5-methyliminopyrrolidine-3-thiol
CID 147486552
2-ethyl-4,5-dihydro-1H-imidazole-5-thiol
CID 150065856
1-(2-Methyliminopyrrolidin-1-yl)ethanethiol
CID 169679715
3-(4,5-dihydro-1H-imidazol-2-yl)propane-1-thiol
CID 173272071
N-(2-methylsulfanylethyl)-3,4-dihydro-2H-pyrrol-5-amine
CID 12545463
2-Imino-1-methylpyrrolidine-3-thiol
CID 13892103
2-[2-(4,5-dihydro-1H-imidazol-2-yl)ethylamino]ethanethiol
CID 21155348

Frequently Asked Questions

What is the IUPAC name of 2-methyliminopyrrolidine-3-thiol?
The IUPAC name of 2-methyliminopyrrolidine-3-thiol (CID 137175526) is 2-methyliminopyrrolidine-3-thiol.
What is the SMILES notation for 2-methyliminopyrrolidine-3-thiol?
The canonical SMILES for 2-methyliminopyrrolidine-3-thiol is C/N=C1\NCCC1S.
What is the InChIKey of 2-methyliminopyrrolidine-3-thiol?
The InChIKey is PTGSGZJGTRGAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2S/c1-6-5-4(8)2-3-7-5/h4,8H,2-3H2,1H3,(H,6,7).
What are the key properties of 2-methyliminopyrrolidine-3-thiol?
2-methyliminopyrrolidine-3-thiol has a molecular weight of 130.22 g/mol, XLogP of 0.31, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyliminopyrrolidine-3-thiol is sourced from PubChem (CID 137175526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).