S-[(2S)-2-prop-2-enylpyrrolidin-1-yl]thiohydroxylamine

C7H14N2S — CID 166674977

IUPACS-[(2S)-2-prop-2-enylpyrrolidin-1-yl]thiohydroxylamine
SMILESC=CC[C@@H]1CCCN1SN
InChIInChI=1S/C7H14N2S/c1-2-4-7-5-3-6-9(7)10-8/h2,7H,1,3-6,8H2/t7-/m1/s1
InChIKeyWLNQGTSAWDXVKI-SSDOTTSWSA-N
MW158.27 g/mol
LogP1.55
Rot. Bonds3

About S-[(2S)-2-prop-2-enylpyrrolidin-1-yl]thiohydroxylamine

S-[(2S)-2-prop-2-enylpyrrolidin-1-yl]thiohydroxylamine (PubChem CID 166674977) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is S-[(2S)-2-prop-2-enylpyrrolidin-1-yl]thiohydroxylamine.

Molecular Properties

Compound NameS-[(2S)-2-prop-2-enylpyrrolidin-1-yl]thiohydroxylamine
PubChem CID166674977
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC NameS-[(2S)-2-prop-2-enylpyrrolidin-1-yl]thiohydroxylamine
SMILESC=CC[C@@H]1CCCN1SN
InChIInChI=1S/C7H14N2S/c1-2-4-7-5-3-6-9(7)10-8/h2,7H,1,3-6,8H2/t7-/m1/s1
InChIKeyWLNQGTSAWDXVKI-SSDOTTSWSA-N
XLogP1.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of S-[(2S)-2-prop-2-enylpyrrolidin-1-yl]thiohydroxylamine?
The IUPAC name of S-[(2S)-2-prop-2-enylpyrrolidin-1-yl]thiohydroxylamine (CID 166674977) is S-[(2S)-2-prop-2-enylpyrrolidin-1-yl]thiohydroxylamine.
What is the SMILES notation for S-[(2S)-2-prop-2-enylpyrrolidin-1-yl]thiohydroxylamine?
The canonical SMILES for S-[(2S)-2-prop-2-enylpyrrolidin-1-yl]thiohydroxylamine is C=CC[C@@H]1CCCN1SN.
What is the InChIKey of S-[(2S)-2-prop-2-enylpyrrolidin-1-yl]thiohydroxylamine?
The InChIKey is WLNQGTSAWDXVKI-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H14N2S/c1-2-4-7-5-3-6-9(7)10-8/h2,7H,1,3-6,8H2/t7-/m1/s1.
What are the key properties of S-[(2S)-2-prop-2-enylpyrrolidin-1-yl]thiohydroxylamine?
S-[(2S)-2-prop-2-enylpyrrolidin-1-yl]thiohydroxylamine has a molecular weight of 158.27 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-[(2S)-2-prop-2-enylpyrrolidin-1-yl]thiohydroxylamine is sourced from PubChem (CID 166674977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).