S-[(E)-2-(1-methylpyrrolidin-2-yl)ethenyl]thiohydroxylamine

C7H14N2S — CID 154648181

IUPACS-[(E)-2-(1-methylpyrrolidin-2-yl)ethenyl]thiohydroxylamine
SMILESCN1CCCC1/C=C/SN
InChIInChI=1S/C7H14N2S/c1-9-5-2-3-7(9)4-6-10-8/h4,6-7H,2-3,5,8H2,1H3/b6-4+
InChIKeySZNVKRQPLDVINC-GQCTYLIASA-N
MW158.27 g/mol
LogP1.20
Rot. Bonds2

About S-[(E)-2-(1-methylpyrrolidin-2-yl)ethenyl]thiohydroxylamine

S-[(E)-2-(1-methylpyrrolidin-2-yl)ethenyl]thiohydroxylamine (PubChem CID 154648181) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is S-[(E)-2-(1-methylpyrrolidin-2-yl)ethenyl]thiohydroxylamine.

Molecular Properties

Compound NameS-[(E)-2-(1-methylpyrrolidin-2-yl)ethenyl]thiohydroxylamine
PubChem CID154648181
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC NameS-[(E)-2-(1-methylpyrrolidin-2-yl)ethenyl]thiohydroxylamine
SMILESCN1CCCC1/C=C/SN
InChIInChI=1S/C7H14N2S/c1-9-5-2-3-7(9)4-6-10-8/h4,6-7H,2-3,5,8H2,1H3/b6-4+
InChIKeySZNVKRQPLDVINC-GQCTYLIASA-N
XLogP1.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of S-[(E)-2-(1-methylpyrrolidin-2-yl)ethenyl]thiohydroxylamine?
The IUPAC name of S-[(E)-2-(1-methylpyrrolidin-2-yl)ethenyl]thiohydroxylamine (CID 154648181) is S-[(E)-2-(1-methylpyrrolidin-2-yl)ethenyl]thiohydroxylamine.
What is the SMILES notation for S-[(E)-2-(1-methylpyrrolidin-2-yl)ethenyl]thiohydroxylamine?
The canonical SMILES for S-[(E)-2-(1-methylpyrrolidin-2-yl)ethenyl]thiohydroxylamine is CN1CCCC1/C=C/SN.
What is the InChIKey of S-[(E)-2-(1-methylpyrrolidin-2-yl)ethenyl]thiohydroxylamine?
The InChIKey is SZNVKRQPLDVINC-GQCTYLIASA-N. The full InChI is InChI=1S/C7H14N2S/c1-9-5-2-3-7(9)4-6-10-8/h4,6-7H,2-3,5,8H2,1H3/b6-4+.
What are the key properties of S-[(E)-2-(1-methylpyrrolidin-2-yl)ethenyl]thiohydroxylamine?
S-[(E)-2-(1-methylpyrrolidin-2-yl)ethenyl]thiohydroxylamine has a molecular weight of 158.27 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-[(E)-2-(1-methylpyrrolidin-2-yl)ethenyl]thiohydroxylamine is sourced from PubChem (CID 154648181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).