(Z,2R,3R)-3-(N-methyl-S-phenylsulfonimidoyl)hex-4-en-2-ol

C13H19NO2S — CID 10515054

IUPAC(Z,2R,3R)-3-(N-methyl-S-phenylsulfonimidoyl)hex-4-en-2-ol
SMILESC/C=C\[C@H]([C@@H](C)O)S(=O)(=NC)c1ccccc1
InChIInChI=1S/C13H19NO2S/c1-4-8-13(11(2)15)17(16,14-3)12-9-6-5-7-10-12/h4-11,13,15H,1-3H3/b8-4-/t11-,13-,17?/m1/s1
InChIKeyZZZTVBJVDNCKGH-MBRYOIQSSA-N
MW253.37 g/mol
LogP2.47
Rot. Bonds4

About (Z,2R,3R)-3-(N-methyl-S-phenylsulfonimidoyl)hex-4-en-2-ol

(Z,2R,3R)-3-(N-methyl-S-phenylsulfonimidoyl)hex-4-en-2-ol (PubChem CID 10515054) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is (Z,2R,3R)-3-(N-methyl-S-phenylsulfonimidoyl)hex-4-en-2-ol.

Molecular Properties

Compound Name(Z,2R,3R)-3-(N-methyl-S-phenylsulfonimidoyl)hex-4-en-2-ol
PubChem CID10515054
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name(Z,2R,3R)-3-(N-methyl-S-phenylsulfonimidoyl)hex-4-en-2-ol
SMILESC/C=C\[C@H]([C@@H](C)O)S(=O)(=NC)c1ccccc1
InChIInChI=1S/C13H19NO2S/c1-4-8-13(11(2)15)17(16,14-3)12-9-6-5-7-10-12/h4-11,13,15H,1-3H3/b8-4-/t11-,13-,17?/m1/s1
InChIKeyZZZTVBJVDNCKGH-MBRYOIQSSA-N
XLogP2.47
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 11371321
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(E,3R)-1-(benzenesulfonyl)-4-methylpent-1-en-3-ol
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(E)-1-(benzenesulfonyl)prop-1-en-2-ol
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CID 85377514
1-(benzenesulfonyl)-1-chloropropan-2-ol
CID 70438780
methyl-methylimino-oxo-phenyl-lambda6-sulfane
CID 519772
[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]sulfonylbenzene
CID 143136700
methylimino-oxo-phenyl-[(Z)-2-phenylbut-2-enyl]-λ6-sulfane
CID 10493393
(2S)-1-(benzenesulfonyl)propan-2-ol
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[(Z)-2-ethylbut-2-enyl]-methylimino-oxo-phenyl-λ6-sulfane
CID 10823803

Frequently Asked Questions

What is the IUPAC name of (Z,2R,3R)-3-(N-methyl-S-phenylsulfonimidoyl)hex-4-en-2-ol?
The IUPAC name of (Z,2R,3R)-3-(N-methyl-S-phenylsulfonimidoyl)hex-4-en-2-ol (CID 10515054) is (Z,2R,3R)-3-(N-methyl-S-phenylsulfonimidoyl)hex-4-en-2-ol.
What is the SMILES notation for (Z,2R,3R)-3-(N-methyl-S-phenylsulfonimidoyl)hex-4-en-2-ol?
The canonical SMILES for (Z,2R,3R)-3-(N-methyl-S-phenylsulfonimidoyl)hex-4-en-2-ol is C/C=C\[C@H]([C@@H](C)O)S(=O)(=NC)c1ccccc1.
What is the InChIKey of (Z,2R,3R)-3-(N-methyl-S-phenylsulfonimidoyl)hex-4-en-2-ol?
The InChIKey is ZZZTVBJVDNCKGH-MBRYOIQSSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-4-8-13(11(2)15)17(16,14-3)12-9-6-5-7-10-12/h4-11,13,15H,1-3H3/b8-4-/t11-,13-,17?/m1/s1.
What are the key properties of (Z,2R,3R)-3-(N-methyl-S-phenylsulfonimidoyl)hex-4-en-2-ol?
(Z,2R,3R)-3-(N-methyl-S-phenylsulfonimidoyl)hex-4-en-2-ol has a molecular weight of 253.37 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R,3R)-3-(N-methyl-S-phenylsulfonimidoyl)hex-4-en-2-ol is sourced from PubChem (CID 10515054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).