(E)-2-(benzenesulfonyl)-N-propan-2-ylprop-1-en-1-amine

C12H17NO2S — CID 177397692

IUPAC(E)-2-(benzenesulfonyl)-N-propan-2-ylprop-1-en-1-amine
SMILESC/C(=C\NC(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H17NO2S/c1-10(2)13-9-11(3)16(14,15)12-7-5-4-6-8-12/h4-10,13H,1-3H3/b11-9+
InChIKeyOUUDJJDHTAKKDP-PKNBQFBNSA-N
MW239.34 g/mol
LogP2.32
Rot. Bonds4

About (E)-2-(benzenesulfonyl)-N-propan-2-ylprop-1-en-1-amine

(E)-2-(benzenesulfonyl)-N-propan-2-ylprop-1-en-1-amine (PubChem CID 177397692) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is (E)-2-(benzenesulfonyl)-N-propan-2-ylprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-(benzenesulfonyl)-N-propan-2-ylprop-1-en-1-amine
PubChem CID177397692
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name(E)-2-(benzenesulfonyl)-N-propan-2-ylprop-1-en-1-amine
SMILESC/C(=C\NC(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H17NO2S/c1-10(2)13-9-11(3)16(14,15)12-7-5-4-6-8-12/h4-10,13H,1-3H3/b11-9+
InChIKeyOUUDJJDHTAKKDP-PKNBQFBNSA-N
XLogP2.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(benzenesulfonyl)-N-propan-2-ylprop-1-en-1-amine?
The IUPAC name of (E)-2-(benzenesulfonyl)-N-propan-2-ylprop-1-en-1-amine (CID 177397692) is (E)-2-(benzenesulfonyl)-N-propan-2-ylprop-1-en-1-amine.
What is the SMILES notation for (E)-2-(benzenesulfonyl)-N-propan-2-ylprop-1-en-1-amine?
The canonical SMILES for (E)-2-(benzenesulfonyl)-N-propan-2-ylprop-1-en-1-amine is C/C(=C\NC(C)C)S(=O)(=O)c1ccccc1.
What is the InChIKey of (E)-2-(benzenesulfonyl)-N-propan-2-ylprop-1-en-1-amine?
The InChIKey is OUUDJJDHTAKKDP-PKNBQFBNSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-10(2)13-9-11(3)16(14,15)12-7-5-4-6-8-12/h4-10,13H,1-3H3/b11-9+.
What are the key properties of (E)-2-(benzenesulfonyl)-N-propan-2-ylprop-1-en-1-amine?
(E)-2-(benzenesulfonyl)-N-propan-2-ylprop-1-en-1-amine has a molecular weight of 239.34 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(benzenesulfonyl)-N-propan-2-ylprop-1-en-1-amine is sourced from PubChem (CID 177397692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).