(3R)-3-methyl-2-oxo-N,N-bis(prop-2-enyl)-1,3-dihydroindole-5-sulfonamide

C15H18N2O3S — CID 9186128

IUPAC(3R)-3-methyl-2-oxo-N,N-bis(prop-2-enyl)-1,3-dihydroindole-5-sulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H](C)C(=O)N2
InChIInChI=1S/C15H18N2O3S/c1-4-8-17(9-5-2)21(19,20)12-6-7-14-13(10-12)11(3)15(18)16-14/h4-7,10-11H,1-2,8-9H2,3H3,(H,16,18)/t11-/m1/s1
InChIKeyUQILHQXQBYAZDG-LLVKDONJSA-N
MW306.39 g/mol
LogP2.10
Rot. Bonds6

About (3R)-3-methyl-2-oxo-N,N-bis(prop-2-enyl)-1,3-dihydroindole-5-sulfonamide

(3R)-3-methyl-2-oxo-N,N-bis(prop-2-enyl)-1,3-dihydroindole-5-sulfonamide (PubChem CID 9186128) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is (3R)-3-methyl-2-oxo-N,N-bis(prop-2-enyl)-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name(3R)-3-methyl-2-oxo-N,N-bis(prop-2-enyl)-1,3-dihydroindole-5-sulfonamide
PubChem CID9186128
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name(3R)-3-methyl-2-oxo-N,N-bis(prop-2-enyl)-1,3-dihydroindole-5-sulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H](C)C(=O)N2
InChIInChI=1S/C15H18N2O3S/c1-4-8-17(9-5-2)21(19,20)12-6-7-14-13(10-12)11(3)15(18)16-14/h4-7,10-11H,1-2,8-9H2,3H3,(H,16,18)/t11-/m1/s1
InChIKeyUQILHQXQBYAZDG-LLVKDONJSA-N
XLogP2.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (3R)-3-methyl-2-oxo-N,N-bis(prop-2-enyl)-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of (3R)-3-methyl-2-oxo-N,N-bis(prop-2-enyl)-1,3-dihydroindole-5-sulfonamide (CID 9186128) is (3R)-3-methyl-2-oxo-N,N-bis(prop-2-enyl)-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for (3R)-3-methyl-2-oxo-N,N-bis(prop-2-enyl)-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for (3R)-3-methyl-2-oxo-N,N-bis(prop-2-enyl)-1,3-dihydroindole-5-sulfonamide is C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H](C)C(=O)N2.
What is the InChIKey of (3R)-3-methyl-2-oxo-N,N-bis(prop-2-enyl)-1,3-dihydroindole-5-sulfonamide?
The InChIKey is UQILHQXQBYAZDG-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-4-8-17(9-5-2)21(19,20)12-6-7-14-13(10-12)11(3)15(18)16-14/h4-7,10-11H,1-2,8-9H2,3H3,(H,16,18)/t11-/m1/s1.
What are the key properties of (3R)-3-methyl-2-oxo-N,N-bis(prop-2-enyl)-1,3-dihydroindole-5-sulfonamide?
(3R)-3-methyl-2-oxo-N,N-bis(prop-2-enyl)-1,3-dihydroindole-5-sulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-2-oxo-N,N-bis(prop-2-enyl)-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 9186128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).