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

C8H16N2S — CID 154648169

IUPACS-[(E)-2-(1-ethylpyrrolidin-2-yl)ethenyl]thiohydroxylamine
SMILESCCN1CCCC1/C=C/SN
InChIInChI=1S/C8H16N2S/c1-2-10-6-3-4-8(10)5-7-11-9/h5,7-8H,2-4,6,9H2,1H3/b7-5+
InChIKeyJLJMDKXXNLHYQZ-FNORWQNLSA-N
MW172.30 g/mol
LogP1.59
Rot. Bonds3

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

S-[(E)-2-(1-ethylpyrrolidin-2-yl)ethenyl]thiohydroxylamine (PubChem CID 154648169) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is S-[(E)-2-(1-ethylpyrrolidin-2-yl)ethenyl]thiohydroxylamine.

Molecular Properties

Compound NameS-[(E)-2-(1-ethylpyrrolidin-2-yl)ethenyl]thiohydroxylamine
PubChem CID154648169
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC NameS-[(E)-2-(1-ethylpyrrolidin-2-yl)ethenyl]thiohydroxylamine
SMILESCCN1CCCC1/C=C/SN
InChIInChI=1S/C8H16N2S/c1-2-10-6-3-4-8(10)5-7-11-9/h5,7-8H,2-4,6,9H2,1H3/b7-5+
InChIKeyJLJMDKXXNLHYQZ-FNORWQNLSA-N
XLogP1.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 51.59
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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Related Compounds

(2S)-1-ethylpyrrolidine-2-carbaldehyde;hydrochloride
CID 142656328
(E)-4-[(2S)-1-ethylpyrrolidin-2-yl]but-3-en-2-one
CID 177231365
sodium [(E)-2-(1-ethylpyrrolidin-2-yl)ethenyl]sulfanyl-[1-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)ethenyl]azanide
CID 154648159
(1-ethylpyrrolidin-2-yl)-λ2-stannane
CID 174710208
ethane;(1-ethylpyrrolidin-2-yl)methanamine
CID 142961136
[(2R)-1-ethylpyrrolidin-2-yl]methanamine;hydrochloride
CID 46738121
N'-[(2S)-1-ethylpyrrolidin-2-yl]-N'-methylpropane-1,3-diamine
CID 94063622
N'-[(2R)-1-ethylpyrrolidin-2-yl]-N'-methylpropane-1,3-diamine
CID 94063621
ethane;(1-ethylpyrrolidin-2-yl)methanamine;methane
CID 142875932
1-(1-ethylpyrrolidin-2-yl)ethanamine
CID 18672993
1,2-diethylpyrrolidine;hydrochloride
CID 175060343
2-N-(1-ethylpyrrolidin-2-yl)-2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 69320907

Frequently Asked Questions

What is the IUPAC name of S-[(E)-2-(1-ethylpyrrolidin-2-yl)ethenyl]thiohydroxylamine?
The IUPAC name of S-[(E)-2-(1-ethylpyrrolidin-2-yl)ethenyl]thiohydroxylamine (CID 154648169) is S-[(E)-2-(1-ethylpyrrolidin-2-yl)ethenyl]thiohydroxylamine.
What is the SMILES notation for S-[(E)-2-(1-ethylpyrrolidin-2-yl)ethenyl]thiohydroxylamine?
The canonical SMILES for S-[(E)-2-(1-ethylpyrrolidin-2-yl)ethenyl]thiohydroxylamine is CCN1CCCC1/C=C/SN.
What is the InChIKey of S-[(E)-2-(1-ethylpyrrolidin-2-yl)ethenyl]thiohydroxylamine?
The InChIKey is JLJMDKXXNLHYQZ-FNORWQNLSA-N. The full InChI is InChI=1S/C8H16N2S/c1-2-10-6-3-4-8(10)5-7-11-9/h5,7-8H,2-4,6,9H2,1H3/b7-5+.
What are the key properties of S-[(E)-2-(1-ethylpyrrolidin-2-yl)ethenyl]thiohydroxylamine?
S-[(E)-2-(1-ethylpyrrolidin-2-yl)ethenyl]thiohydroxylamine has a molecular weight of 172.30 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-[(E)-2-(1-ethylpyrrolidin-2-yl)ethenyl]thiohydroxylamine is sourced from PubChem (CID 154648169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).