2-methyl-3-pyrrolidin-1-ylpropane-1-thiol

C8H17NS — CID 23362475

IUPAC2-methyl-3-pyrrolidin-1-ylpropane-1-thiol
SMILESCC(CS)CN1CCCC1
InChIInChI=1S/C8H17NS/c1-8(7-10)6-9-4-2-3-5-9/h8,10H,2-7H2,1H3
InChIKeyMQWHHWFOYJQMIB-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.65
Rot. Bonds3

About 2-methyl-3-pyrrolidin-1-ylpropane-1-thiol

2-methyl-3-pyrrolidin-1-ylpropane-1-thiol (PubChem CID 23362475) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 2-methyl-3-pyrrolidin-1-ylpropane-1-thiol.

Molecular Properties

Compound Name2-methyl-3-pyrrolidin-1-ylpropane-1-thiol
PubChem CID23362475
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name2-methyl-3-pyrrolidin-1-ylpropane-1-thiol
SMILESCC(CS)CN1CCCC1
InChIInChI=1S/C8H17NS/c1-8(7-10)6-9-4-2-3-5-9/h8,10H,2-7H2,1H3
InChIKeyMQWHHWFOYJQMIB-UHFFFAOYSA-N
XLogP1.65
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-3-pyrrolidin-1-ylpropane-1-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

Ethanethiol, 2-(diisobutylamino)-
CID 79924
2-(3-Fluoropyrrolidin-1-yl)-2-methylpropane-1-thiol
CID 169833771
3-Methyl-1-(3-methylsulfanylpropyl)pyrrolidine
CID 10397262
2-[2-Methylpropyl(2-sulfanylethyl)amino]ethanethiol
CID 449874
1-Methylpyrrolidine-3-thiol
CID 13726421
(3S)-1-methylpyrrolidine-3-thiol
CID 13726423
1-Methylpyrrolidine-2-thiol
CID 13879871
2-Methyl-1-pyrrolidin-1-ylpropane-2-thiol
CID 15448994
5-(Pyrrolidin-1-yl)pentane-1-thiol
CID 17766755
1,1-Dimethylpyrrolidin-1-ium-3-thiol
CID 19797246
(1,1-Dimethylpyrrolidin-1-ium-3-yl)methanethiol
CID 19797248
1-Ethyl-pyrrolidine-3-thiol
CID 19934161

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-pyrrolidin-1-ylpropane-1-thiol?
The IUPAC name of 2-methyl-3-pyrrolidin-1-ylpropane-1-thiol (CID 23362475) is 2-methyl-3-pyrrolidin-1-ylpropane-1-thiol.
What is the SMILES notation for 2-methyl-3-pyrrolidin-1-ylpropane-1-thiol?
The canonical SMILES for 2-methyl-3-pyrrolidin-1-ylpropane-1-thiol is CC(CS)CN1CCCC1.
What is the InChIKey of 2-methyl-3-pyrrolidin-1-ylpropane-1-thiol?
The InChIKey is MQWHHWFOYJQMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-8(7-10)6-9-4-2-3-5-9/h8,10H,2-7H2,1H3.
What are the key properties of 2-methyl-3-pyrrolidin-1-ylpropane-1-thiol?
2-methyl-3-pyrrolidin-1-ylpropane-1-thiol has a molecular weight of 159.30 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-pyrrolidin-1-ylpropane-1-thiol is sourced from PubChem (CID 23362475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).