(3S)-3-methyl-1-sulfanylpyrrolidine

C5H11NS — CID 90265274

IUPAC(3S)-3-methyl-1-sulfanylpyrrolidine
SMILESC[C@H]1CCN(S)C1
InChIInChI=1S/C5H11NS/c1-5-2-3-6(7)4-5/h5,7H,2-4H2,1H3/t5-/m0/s1
InChIKeyPASKKLCSYHZESA-YFKPBYRVSA-N
MW117.22 g/mol
LogP1.17
Rot. Bonds

About (3S)-3-methyl-1-sulfanylpyrrolidine

(3S)-3-methyl-1-sulfanylpyrrolidine (PubChem CID 90265274) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is (3S)-3-methyl-1-sulfanylpyrrolidine.

Molecular Properties

Compound Name(3S)-3-methyl-1-sulfanylpyrrolidine
PubChem CID90265274
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Name(3S)-3-methyl-1-sulfanylpyrrolidine
SMILESC[C@H]1CCN(S)C1
InChIInChI=1S/C5H11NS/c1-5-2-3-6(7)4-5/h5,7H,2-4H2,1H3/t5-/m0/s1
InChIKeyPASKKLCSYHZESA-YFKPBYRVSA-N
XLogP1.17
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 51.17
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

1,3-Dimethylpyrrolidine
CID 237662
1-Ethyl-3-methylpyrrolidine
CID 11274984
1,3,4-Trimethyl-pyrrolidine
CID 262592
Thioazolidine
CID 19981904
1-Fluoro-3-methylpyrrolidine
CID 126633601
(r,s)-1,3-Dimethyl-pyrrolidine
CID 58412242
(3R)-1-fluoro-3-methylpyrrolidine
CID 177255676
1,1,3-Trimethylpyrrolidin-1-ium
CID 11096750
3-Methylpyrrolidin-1-ide;bis(yttrium)
CID 21344019
(3S)-1,3-dimethylpyrrolidine
CID 57680689
(3S,4S)-1,3,4-trimethylpyrrolidine
CID 57741587
(3S)-3-methyl-1-methylsulfanylpyrrolidine
CID 57745726

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-sulfanylpyrrolidine?
The IUPAC name of (3S)-3-methyl-1-sulfanylpyrrolidine (CID 90265274) is (3S)-3-methyl-1-sulfanylpyrrolidine.
What is the SMILES notation for (3S)-3-methyl-1-sulfanylpyrrolidine?
The canonical SMILES for (3S)-3-methyl-1-sulfanylpyrrolidine is C[C@H]1CCN(S)C1.
What is the InChIKey of (3S)-3-methyl-1-sulfanylpyrrolidine?
The InChIKey is PASKKLCSYHZESA-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H11NS/c1-5-2-3-6(7)4-5/h5,7H,2-4H2,1H3/t5-/m0/s1.
What are the key properties of (3S)-3-methyl-1-sulfanylpyrrolidine?
(3S)-3-methyl-1-sulfanylpyrrolidine has a molecular weight of 117.22 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-sulfanylpyrrolidine is sourced from PubChem (CID 90265274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).