N-[(1Z,3Z)-5-sulfanylpenta-1,3-dienyl]hydroxylamine

C5H9NOS — CID 89335154

IUPACN-[(1Z,3Z)-5-sulfanylpenta-1,3-dienyl]hydroxylamine
SMILESON/C=C\C=C/CS
InChIInChI=1S/C5H9NOS/c7-6-4-2-1-3-5-8/h1-4,6-8H,5H2/b3-1-,4-2-
InChIKeyQGNWZHIHRJURFO-CCAGOZQPSA-N
MW131.20 g/mol
LogP0.96
Rot. Bonds3

About N-[(1Z,3Z)-5-sulfanylpenta-1,3-dienyl]hydroxylamine

N-[(1Z,3Z)-5-sulfanylpenta-1,3-dienyl]hydroxylamine (PubChem CID 89335154) has the molecular formula C5H9NOS and a molecular weight of 131.20 g/mol. Its IUPAC name is N-[(1Z,3Z)-5-sulfanylpenta-1,3-dienyl]hydroxylamine.

Molecular Properties

Compound NameN-[(1Z,3Z)-5-sulfanylpenta-1,3-dienyl]hydroxylamine
PubChem CID89335154
Molecular FormulaC5H9NOS
Molecular Weight131.20 g/mol
Exact Mass131.04
IUPAC NameN-[(1Z,3Z)-5-sulfanylpenta-1,3-dienyl]hydroxylamine
SMILESON/C=C\C=C/CS
InChIInChI=1S/C5H9NOS/c7-6-4-2-1-3-5-8/h1-4,6-8H,5H2/b3-1-,4-2-
InChIKeyQGNWZHIHRJURFO-CCAGOZQPSA-N
XLogP0.96
TPSA32.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2E,4E,6E,8E)-deca-2,4,6,8-tetraene-1,10-dithiol
CID 177393141
penta-2,4-diene-1-thiol
CID 71441570
N-(3-aminoprop-1-enyl)hydroxylamine
CID 174764651
octa-1,3-dienylcarbamothioic S-acid
CID 173191991
(E)-5-chloropent-2-ene-1-thiol
CID 88600792
3-chloroprop-2-ene-1-thiol
CID 54279009
(E)-hept-2-ene-1,7-dithiol
CID 151982717
(Z)-hept-2-ene-1,7-dithiol
CID 151982718
(2E,4E)-hexa-2,4-diene-1,6-diol
CID 6440316
3-methylsilylprop-2-ene-1-thiol
CID 159627394
3-methylsulfanylprop-2-ene-1-thiol
CID 123529762
(E)-3-[4-(3-sulfanylprop-1-enyl)phenyl]prop-2-enoic acid
CID 169455690

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3Z)-5-sulfanylpenta-1,3-dienyl]hydroxylamine?
The IUPAC name of N-[(1Z,3Z)-5-sulfanylpenta-1,3-dienyl]hydroxylamine (CID 89335154) is N-[(1Z,3Z)-5-sulfanylpenta-1,3-dienyl]hydroxylamine.
What is the SMILES notation for N-[(1Z,3Z)-5-sulfanylpenta-1,3-dienyl]hydroxylamine?
The canonical SMILES for N-[(1Z,3Z)-5-sulfanylpenta-1,3-dienyl]hydroxylamine is ON/C=C\C=C/CS.
What is the InChIKey of N-[(1Z,3Z)-5-sulfanylpenta-1,3-dienyl]hydroxylamine?
The InChIKey is QGNWZHIHRJURFO-CCAGOZQPSA-N. The full InChI is InChI=1S/C5H9NOS/c7-6-4-2-1-3-5-8/h1-4,6-8H,5H2/b3-1-,4-2-.
What are the key properties of N-[(1Z,3Z)-5-sulfanylpenta-1,3-dienyl]hydroxylamine?
N-[(1Z,3Z)-5-sulfanylpenta-1,3-dienyl]hydroxylamine has a molecular weight of 131.20 g/mol, XLogP of 0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3Z)-5-sulfanylpenta-1,3-dienyl]hydroxylamine is sourced from PubChem (CID 89335154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).