2-[(3R)-1-methylpyrrolidin-3-yl]ethanethiol

C7H15NS — CID 59948989

IUPAC2-[(3R)-1-methylpyrrolidin-3-yl]ethanethiol
SMILESCN1CC[C@H](CCS)C1
InChIInChI=1S/C7H15NS/c1-8-4-2-7(6-8)3-5-9/h7,9H,2-6H2,1H3/t7-/m1/s1
InChIKeyGZRIJFWBFJLZIS-SSDOTTSWSA-N
MW145.27 g/mol
LogP1.26
Rot. Bonds2

About 2-[(3R)-1-methylpyrrolidin-3-yl]ethanethiol

2-[(3R)-1-methylpyrrolidin-3-yl]ethanethiol (PubChem CID 59948989) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 2-[(3R)-1-methylpyrrolidin-3-yl]ethanethiol.

Molecular Properties

Compound Name2-[(3R)-1-methylpyrrolidin-3-yl]ethanethiol
PubChem CID59948989
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name2-[(3R)-1-methylpyrrolidin-3-yl]ethanethiol
SMILESCN1CC[C@H](CCS)C1
InChIInChI=1S/C7H15NS/c1-8-4-2-7(6-8)3-5-9/h7,9H,2-6H2,1H3/t7-/m1/s1
InChIKeyGZRIJFWBFJLZIS-SSDOTTSWSA-N
XLogP1.26
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]ethanethiol
CID 115224443
1-methyl-3-(3-methylbutyl)pyrrolidine
CID 58945066
3-ethyl-1-methylpyrrolidine;methane
CID 161184146
3-(cyclopropylmethyl)-1-methylpyrrolidine
CID 127006990
1-ethyl-4-[2-(1-methylpyrrolidin-3-yl)ethyl]piperazine
CID 156559020
1-(1-methylpyrrolidin-3-yl)pentan-3-amine
CID 83980580
3-(3,3-dimethylpentyl)-1-methylpyrrolidine
CID 166971652
2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanethiol
CID 115224308
5-(1-methylpyrrolidin-3-yl)pentan-2-amine
CID 116925099
(3S)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine
CID 131972870
6-ethyl-1,4-dimethyl-1,4-diazocane
CID 174327849
N-ethyl-N'-[2-(1-methylpyrrolidin-3-yl)ethyl]ethane-1,2-diamine
CID 115206064

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-methylpyrrolidin-3-yl]ethanethiol?
The IUPAC name of 2-[(3R)-1-methylpyrrolidin-3-yl]ethanethiol (CID 59948989) is 2-[(3R)-1-methylpyrrolidin-3-yl]ethanethiol.
What is the SMILES notation for 2-[(3R)-1-methylpyrrolidin-3-yl]ethanethiol?
The canonical SMILES for 2-[(3R)-1-methylpyrrolidin-3-yl]ethanethiol is CN1CC[C@H](CCS)C1.
What is the InChIKey of 2-[(3R)-1-methylpyrrolidin-3-yl]ethanethiol?
The InChIKey is GZRIJFWBFJLZIS-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H15NS/c1-8-4-2-7(6-8)3-5-9/h7,9H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of 2-[(3R)-1-methylpyrrolidin-3-yl]ethanethiol?
2-[(3R)-1-methylpyrrolidin-3-yl]ethanethiol has a molecular weight of 145.27 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-methylpyrrolidin-3-yl]ethanethiol is sourced from PubChem (CID 59948989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).