(1R,2S)-2-(benzenesulfonyl)-1-(furan-2-yl)-N-prop-2-enylbut-3-en-1-amine

C17H19NO3S — CID 15527319

IUPAC(1R,2S)-2-(benzenesulfonyl)-1-(furan-2-yl)-N-prop-2-enylbut-3-en-1-amine
SMILESC=CCN[C@H](c1ccco1)[C@H](C=C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H19NO3S/c1-3-12-18-17(15-11-8-13-21-15)16(4-2)22(19,20)14-9-6-5-7-10-14/h3-11,13,16-18H,1-2,12H2/t16-,17+/m0/s1
InChIKeyJNNYBQYVLILUAC-DLBZAZTESA-N
MW317.41 g/mol
LogP3.12
Rot. Bonds8

About (1R,2S)-2-(benzenesulfonyl)-1-(furan-2-yl)-N-prop-2-enylbut-3-en-1-amine

(1R,2S)-2-(benzenesulfonyl)-1-(furan-2-yl)-N-prop-2-enylbut-3-en-1-amine (PubChem CID 15527319) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is (1R,2S)-2-(benzenesulfonyl)-1-(furan-2-yl)-N-prop-2-enylbut-3-en-1-amine.

Molecular Properties

Compound Name(1R,2S)-2-(benzenesulfonyl)-1-(furan-2-yl)-N-prop-2-enylbut-3-en-1-amine
PubChem CID15527319
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name(1R,2S)-2-(benzenesulfonyl)-1-(furan-2-yl)-N-prop-2-enylbut-3-en-1-amine
SMILESC=CCN[C@H](c1ccco1)[C@H](C=C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H19NO3S/c1-3-12-18-17(15-11-8-13-21-15)16(4-2)22(19,20)14-9-6-5-7-10-14/h3-11,13,16-18H,1-2,12H2/t16-,17+/m0/s1
InChIKeyJNNYBQYVLILUAC-DLBZAZTESA-N
XLogP3.12
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-(benzenesulfonyl)-1-(furan-2-yl)-N-prop-2-enylbut-3-en-1-amine?
The IUPAC name of (1R,2S)-2-(benzenesulfonyl)-1-(furan-2-yl)-N-prop-2-enylbut-3-en-1-amine (CID 15527319) is (1R,2S)-2-(benzenesulfonyl)-1-(furan-2-yl)-N-prop-2-enylbut-3-en-1-amine.
What is the SMILES notation for (1R,2S)-2-(benzenesulfonyl)-1-(furan-2-yl)-N-prop-2-enylbut-3-en-1-amine?
The canonical SMILES for (1R,2S)-2-(benzenesulfonyl)-1-(furan-2-yl)-N-prop-2-enylbut-3-en-1-amine is C=CCN[C@H](c1ccco1)[C@H](C=C)S(=O)(=O)c1ccccc1.
What is the InChIKey of (1R,2S)-2-(benzenesulfonyl)-1-(furan-2-yl)-N-prop-2-enylbut-3-en-1-amine?
The InChIKey is JNNYBQYVLILUAC-DLBZAZTESA-N. The full InChI is InChI=1S/C17H19NO3S/c1-3-12-18-17(15-11-8-13-21-15)16(4-2)22(19,20)14-9-6-5-7-10-14/h3-11,13,16-18H,1-2,12H2/t16-,17+/m0/s1.
What are the key properties of (1R,2S)-2-(benzenesulfonyl)-1-(furan-2-yl)-N-prop-2-enylbut-3-en-1-amine?
(1R,2S)-2-(benzenesulfonyl)-1-(furan-2-yl)-N-prop-2-enylbut-3-en-1-amine has a molecular weight of 317.41 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-(benzenesulfonyl)-1-(furan-2-yl)-N-prop-2-enylbut-3-en-1-amine is sourced from PubChem (CID 15527319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).