O-[(Z,3Z)-4-methyl-3-[(3-propan-2-ylphenyl)sulfanylmethylidene]pent-1-enyl]hydroxylamine

C16H23NOS — CID 166101317

IUPACO-[(Z,3Z)-4-methyl-3-[(3-propan-2-ylphenyl)sulfanylmethylidene]pent-1-enyl]hydroxylamine
SMILESCC(C)C(/C=C\ON)=C/Sc1cccc(C(C)C)c1
InChIInChI=1S/C16H23NOS/c1-12(2)14-6-5-7-16(10-14)19-11-15(13(3)4)8-9-18-17/h5-13H,17H2,1-4H3/b9-8-,15-11+
InChIKeySLLWRUVBMVZVIF-CKHPGVLBSA-N
MW277.43 g/mol
LogP4.85
Rot. Bonds6

About O-[(Z,3Z)-4-methyl-3-[(3-propan-2-ylphenyl)sulfanylmethylidene]pent-1-enyl]hydroxylamine

O-[(Z,3Z)-4-methyl-3-[(3-propan-2-ylphenyl)sulfanylmethylidene]pent-1-enyl]hydroxylamine (PubChem CID 166101317) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is O-[(Z,3Z)-4-methyl-3-[(3-propan-2-ylphenyl)sulfanylmethylidene]pent-1-enyl]hydroxylamine.

Molecular Properties

Compound NameO-[(Z,3Z)-4-methyl-3-[(3-propan-2-ylphenyl)sulfanylmethylidene]pent-1-enyl]hydroxylamine
PubChem CID166101317
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC NameO-[(Z,3Z)-4-methyl-3-[(3-propan-2-ylphenyl)sulfanylmethylidene]pent-1-enyl]hydroxylamine
SMILESCC(C)C(/C=C\ON)=C/Sc1cccc(C(C)C)c1
InChIInChI=1S/C16H23NOS/c1-12(2)14-6-5-7-16(10-14)19-11-15(13(3)4)8-9-18-17/h5-13H,17H2,1-4H3/b9-8-,15-11+
InChIKeySLLWRUVBMVZVIF-CKHPGVLBSA-N
XLogP4.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[amino-(3-propan-2-ylphenyl)sulfanylmethylidene]tungsten
CID 177108073
1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;ethane
CID 158231247
hydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene)
CID 172708535
(Z)-2-hydrazinyl-2-(3-propan-2-ylphenyl)ethenamine
CID 170970755
triethyl-[(3-propan-2-ylphenyl)disulfanyl]azanium
CID 174730774
ethane;1-fluoro-3-propan-2-ylbenzene;1-methylsulfanyl-3-propan-2-ylbenzene
CID 155735677
1-(3-propan-2-ylphenyl)ethanamine
CID 63886929
ethane;1-methyl-3-propan-2-ylbenzene
CID 142020139
[(E)-2-ethoxy-3-methylbut-1-enyl]sulfanylbenzene
CID 171377893
benzene;ethane;1-methyl-3-propan-2-ylbenzene
CID 143383161
2-methyl-1-(3-propan-2-ylphenyl)propan-1-ol
CID 22486943
ethane;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene)
CID 158672688

Frequently Asked Questions

What is the IUPAC name of O-[(Z,3Z)-4-methyl-3-[(3-propan-2-ylphenyl)sulfanylmethylidene]pent-1-enyl]hydroxylamine?
The IUPAC name of O-[(Z,3Z)-4-methyl-3-[(3-propan-2-ylphenyl)sulfanylmethylidene]pent-1-enyl]hydroxylamine (CID 166101317) is O-[(Z,3Z)-4-methyl-3-[(3-propan-2-ylphenyl)sulfanylmethylidene]pent-1-enyl]hydroxylamine.
What is the SMILES notation for O-[(Z,3Z)-4-methyl-3-[(3-propan-2-ylphenyl)sulfanylmethylidene]pent-1-enyl]hydroxylamine?
The canonical SMILES for O-[(Z,3Z)-4-methyl-3-[(3-propan-2-ylphenyl)sulfanylmethylidene]pent-1-enyl]hydroxylamine is CC(C)C(/C=C\ON)=C/Sc1cccc(C(C)C)c1.
What is the InChIKey of O-[(Z,3Z)-4-methyl-3-[(3-propan-2-ylphenyl)sulfanylmethylidene]pent-1-enyl]hydroxylamine?
The InChIKey is SLLWRUVBMVZVIF-CKHPGVLBSA-N. The full InChI is InChI=1S/C16H23NOS/c1-12(2)14-6-5-7-16(10-14)19-11-15(13(3)4)8-9-18-17/h5-13H,17H2,1-4H3/b9-8-,15-11+.
What are the key properties of O-[(Z,3Z)-4-methyl-3-[(3-propan-2-ylphenyl)sulfanylmethylidene]pent-1-enyl]hydroxylamine?
O-[(Z,3Z)-4-methyl-3-[(3-propan-2-ylphenyl)sulfanylmethylidene]pent-1-enyl]hydroxylamine has a molecular weight of 277.43 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(Z,3Z)-4-methyl-3-[(3-propan-2-ylphenyl)sulfanylmethylidene]pent-1-enyl]hydroxylamine is sourced from PubChem (CID 166101317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).