[(2S)-1-ethylpyrrolidin-2-yl]methanethiol

C7H15NS — CID 45088079

IUPAC[(2S)-1-ethylpyrrolidin-2-yl]methanethiol
SMILESCCN1CCC[C@H]1CS
InChIInChI=1S/C7H15NS/c1-2-8-5-3-4-7(8)6-9/h7,9H,2-6H2,1H3/t7-/m0/s1
InChIKeyWRIDZSNGGOPUEI-ZETCQYMHSA-N
MW145.27 g/mol
LogP1.40
Rot. Bonds2

About [(2S)-1-ethylpyrrolidin-2-yl]methanethiol

[(2S)-1-ethylpyrrolidin-2-yl]methanethiol (PubChem CID 45088079) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is [(2S)-1-ethylpyrrolidin-2-yl]methanethiol.

Molecular Properties

Compound Name[(2S)-1-ethylpyrrolidin-2-yl]methanethiol
PubChem CID45088079
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name[(2S)-1-ethylpyrrolidin-2-yl]methanethiol
SMILESCCN1CCC[C@H]1CS
InChIInChI=1S/C7H15NS/c1-2-8-5-3-4-7(8)6-9/h7,9H,2-6H2,1H3/t7-/m0/s1
InChIKeyWRIDZSNGGOPUEI-ZETCQYMHSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-ethylpyrrolidin-2-yl]methanethiol?
The IUPAC name of [(2S)-1-ethylpyrrolidin-2-yl]methanethiol (CID 45088079) is [(2S)-1-ethylpyrrolidin-2-yl]methanethiol.
What is the SMILES notation for [(2S)-1-ethylpyrrolidin-2-yl]methanethiol?
The canonical SMILES for [(2S)-1-ethylpyrrolidin-2-yl]methanethiol is CCN1CCC[C@H]1CS.
What is the InChIKey of [(2S)-1-ethylpyrrolidin-2-yl]methanethiol?
The InChIKey is WRIDZSNGGOPUEI-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H15NS/c1-2-8-5-3-4-7(8)6-9/h7,9H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of [(2S)-1-ethylpyrrolidin-2-yl]methanethiol?
[(2S)-1-ethylpyrrolidin-2-yl]methanethiol has a molecular weight of 145.27 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-ethylpyrrolidin-2-yl]methanethiol is sourced from PubChem (CID 45088079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).