N-[(2S,6Z)-3-methylnona-6,8-dien-2-yl]thiohydroxylamine

C10H19NS — CID 155238535

IUPACN-[(2S,6Z)-3-methylnona-6,8-dien-2-yl]thiohydroxylamine
SMILESC=C/C=C\CCC(C)[C@H](C)NS
InChIInChI=1S/C10H19NS/c1-4-5-6-7-8-9(2)10(3)11-12/h4-6,9-12H,1,7-8H2,2-3H3/b6-5-/t9?,10-/m0/s1
InChIKeyPSAQLJAUJNRFDL-QSYMTYJESA-N
MW185.34 g/mol
LogP2.97
Rot. Bonds6

About N-[(2S,6Z)-3-methylnona-6,8-dien-2-yl]thiohydroxylamine

N-[(2S,6Z)-3-methylnona-6,8-dien-2-yl]thiohydroxylamine (PubChem CID 155238535) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is N-[(2S,6Z)-3-methylnona-6,8-dien-2-yl]thiohydroxylamine.

Molecular Properties

Compound NameN-[(2S,6Z)-3-methylnona-6,8-dien-2-yl]thiohydroxylamine
PubChem CID155238535
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC NameN-[(2S,6Z)-3-methylnona-6,8-dien-2-yl]thiohydroxylamine
SMILESC=C/C=C\CCC(C)[C@H](C)NS
InChIInChI=1S/C10H19NS/c1-4-5-6-7-8-9(2)10(3)11-12/h4-6,9-12H,1,7-8H2,2-3H3/b6-5-/t9?,10-/m0/s1
InChIKeyPSAQLJAUJNRFDL-QSYMTYJESA-N
XLogP2.97
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,6Z)-3-methylnona-6,8-dien-2-yl]thiohydroxylamine?
The IUPAC name of N-[(2S,6Z)-3-methylnona-6,8-dien-2-yl]thiohydroxylamine (CID 155238535) is N-[(2S,6Z)-3-methylnona-6,8-dien-2-yl]thiohydroxylamine.
What is the SMILES notation for N-[(2S,6Z)-3-methylnona-6,8-dien-2-yl]thiohydroxylamine?
The canonical SMILES for N-[(2S,6Z)-3-methylnona-6,8-dien-2-yl]thiohydroxylamine is C=C/C=C\CCC(C)[C@H](C)NS.
What is the InChIKey of N-[(2S,6Z)-3-methylnona-6,8-dien-2-yl]thiohydroxylamine?
The InChIKey is PSAQLJAUJNRFDL-QSYMTYJESA-N. The full InChI is InChI=1S/C10H19NS/c1-4-5-6-7-8-9(2)10(3)11-12/h4-6,9-12H,1,7-8H2,2-3H3/b6-5-/t9?,10-/m0/s1.
What are the key properties of N-[(2S,6Z)-3-methylnona-6,8-dien-2-yl]thiohydroxylamine?
N-[(2S,6Z)-3-methylnona-6,8-dien-2-yl]thiohydroxylamine has a molecular weight of 185.34 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,6Z)-3-methylnona-6,8-dien-2-yl]thiohydroxylamine is sourced from PubChem (CID 155238535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).