ethane;1-methylpyrrolidine-3-thiol

C7H17NS — CID 155717252

IUPACethane;1-methylpyrrolidine-3-thiol
SMILESCC.CN1CCC(S)C1
InChIInChI=1S/C5H11NS.C2H6/c1-6-3-2-5(7)4-6;1-2/h5,7H,2-4H2,1H3;1-2H3
InChIKeyUREAILAEWMKWMN-UHFFFAOYSA-N
MW147.29 g/mol
LogP1.65
Rot. Bonds

About ethane;1-methylpyrrolidine-3-thiol

ethane;1-methylpyrrolidine-3-thiol (PubChem CID 155717252) has the molecular formula C7H17NS and a molecular weight of 147.29 g/mol. Its IUPAC name is ethane;1-methylpyrrolidine-3-thiol.

Molecular Properties

Compound Nameethane;1-methylpyrrolidine-3-thiol
PubChem CID155717252
Molecular FormulaC7H17NS
Molecular Weight147.29 g/mol
Exact Mass147.11
IUPAC Nameethane;1-methylpyrrolidine-3-thiol
SMILESCC.CN1CCC(S)C1
InChIInChI=1S/C5H11NS.C2H6/c1-6-3-2-5(7)4-6;1-2/h5,7H,2-4H2,1H3;1-2H3
InChIKeyUREAILAEWMKWMN-UHFFFAOYSA-N
XLogP1.65
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze ethane;1-methylpyrrolidine-3-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acetic acid;1-methylpyrrolidine-3-thiol
CID 88601172
(3R)-1,3-dimethylpyrrolidine;ethane
CID 90814408
ethane;1,3,4-trimethylpiperidine
CID 142222872
ethane;fluoromethane;3-fluoro-1-methylpyrrolidine
CID 177157428
1-methylpyrrolidin-3-amine;sulfanol
CID 143564913
ethane;1-methylpiperidin-4-amine
CID 123622295
(3R)-1,3-dimethylpyrrolidine
CID 58412242
ethane;(3R)-1-methyl-3-propan-2-ylpyrrolidine
CID 176952918
2-(1-methylpyrrolidin-3-yl)propane-2-thiol
CID 116866670
1,3,4-trimethylpiperidine
CID 14454423
(3S,4R)-1,3,4-trimethylpiperidine
CID 14454424
ethane;1-methyl-3-(trifluoromethyl)pyrrolidine
CID 177172924

Frequently Asked Questions

What is the IUPAC name of ethane;1-methylpyrrolidine-3-thiol?
The IUPAC name of ethane;1-methylpyrrolidine-3-thiol (CID 155717252) is ethane;1-methylpyrrolidine-3-thiol.
What is the SMILES notation for ethane;1-methylpyrrolidine-3-thiol?
The canonical SMILES for ethane;1-methylpyrrolidine-3-thiol is CC.CN1CCC(S)C1.
What is the InChIKey of ethane;1-methylpyrrolidine-3-thiol?
The InChIKey is UREAILAEWMKWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS.C2H6/c1-6-3-2-5(7)4-6;1-2/h5,7H,2-4H2,1H3;1-2H3.
What are the key properties of ethane;1-methylpyrrolidine-3-thiol?
ethane;1-methylpyrrolidine-3-thiol has a molecular weight of 147.29 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylpyrrolidine-3-thiol is sourced from PubChem (CID 155717252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).