(E,3R)-5-amino-1-(benzenesulfonyl)pent-1-en-3-ol

C11H15NO3S — CID 10926321

IUPAC(E,3R)-5-amino-1-(benzenesulfonyl)pent-1-en-3-ol
SMILESNCC[C@@H](O)/C=C/S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H15NO3S/c12-8-6-10(13)7-9-16(14,15)11-4-2-1-3-5-11/h1-5,7,9-10,13H,6,8,12H2/b9-7+/t10-/m1/s1
InChIKeyHYFUKCSGTVXGIN-TTZKWOQHSA-N
MW241.31 g/mol
LogP0.68
Rot. Bonds5

About (E,3R)-5-amino-1-(benzenesulfonyl)pent-1-en-3-ol

(E,3R)-5-amino-1-(benzenesulfonyl)pent-1-en-3-ol (PubChem CID 10926321) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is (E,3R)-5-amino-1-(benzenesulfonyl)pent-1-en-3-ol.

Molecular Properties

Compound Name(E,3R)-5-amino-1-(benzenesulfonyl)pent-1-en-3-ol
PubChem CID10926321
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name(E,3R)-5-amino-1-(benzenesulfonyl)pent-1-en-3-ol
SMILESNCC[C@@H](O)/C=C/S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H15NO3S/c12-8-6-10(13)7-9-16(14,15)11-4-2-1-3-5-11/h1-5,7,9-10,13H,6,8,12H2/b9-7+/t10-/m1/s1
InChIKeyHYFUKCSGTVXGIN-TTZKWOQHSA-N
XLogP0.68
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 102026404
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CID 165356689
(E,5S)-7-(benzenesulfonyl)hept-6-ene-1,5-diamine
CID 10400852
[(E,3R)-5-(benzenesulfonyl)-3-hydroxypent-4-enyl]azanium;2,2,2-trifluoroacetate
CID 10926320
(E,3R)-1-(benzenesulfonyl)-4-methylpent-1-en-3-ol
CID 14785606
(E,3S)-1-(4-methylphenyl)sulfonylhex-1-en-3-ol
CID 15727628
2-amino-N-[4-(benzenesulfonyl)-1-phenylbut-3-en-2-yl]acetamide;hydrochloride
CID 70065138
(E)-1-(benzenesulfonyl)prop-1-en-2-ol
CID 118410381
ethyl 2-acetyl-3-[(E)-2-(benzenesulfonyl)ethenyl]nonanoate
CID 10644349
(E)-1-(benzenesulfonyl)-4,4-dimethylhept-1-en-6-yn-3-ol
CID 101073794
[(E)-3-(benzenesulfonyl)-1-phenylprop-2-enoxy]methylbenzene
CID 134898677
5-(benzenesulfonyl)-1-phenylpent-4-en-1-amine
CID 67565575

Frequently Asked Questions

What is the IUPAC name of (E,3R)-5-amino-1-(benzenesulfonyl)pent-1-en-3-ol?
The IUPAC name of (E,3R)-5-amino-1-(benzenesulfonyl)pent-1-en-3-ol (CID 10926321) is (E,3R)-5-amino-1-(benzenesulfonyl)pent-1-en-3-ol.
What is the SMILES notation for (E,3R)-5-amino-1-(benzenesulfonyl)pent-1-en-3-ol?
The canonical SMILES for (E,3R)-5-amino-1-(benzenesulfonyl)pent-1-en-3-ol is NCC[C@@H](O)/C=C/S(=O)(=O)c1ccccc1.
What is the InChIKey of (E,3R)-5-amino-1-(benzenesulfonyl)pent-1-en-3-ol?
The InChIKey is HYFUKCSGTVXGIN-TTZKWOQHSA-N. The full InChI is InChI=1S/C11H15NO3S/c12-8-6-10(13)7-9-16(14,15)11-4-2-1-3-5-11/h1-5,7,9-10,13H,6,8,12H2/b9-7+/t10-/m1/s1.
What are the key properties of (E,3R)-5-amino-1-(benzenesulfonyl)pent-1-en-3-ol?
(E,3R)-5-amino-1-(benzenesulfonyl)pent-1-en-3-ol has a molecular weight of 241.31 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R)-5-amino-1-(benzenesulfonyl)pent-1-en-3-ol is sourced from PubChem (CID 10926321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).