(2S)-2-methyl-1-(4-nitrophenyl)sulfanyl-2,3-dihydroindole

C15H14N2O2S — CID 2319706

IUPAC(2S)-2-methyl-1-(4-nitrophenyl)sulfanyl-2,3-dihydroindole
SMILESC[C@H]1Cc2ccccc2N1Sc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H14N2O2S/c1-11-10-12-4-2-3-5-15(12)16(11)20-14-8-6-13(7-9-14)17(18)19/h2-9,11H,10H2,1H3/t11-/m0/s1
InChIKeySUVPYTDLXDOSFZ-NSHDSACASA-N
MW286.36 g/mol
LogP4.05
Rot. Bonds3

About (2S)-2-methyl-1-(4-nitrophenyl)sulfanyl-2,3-dihydroindole

(2S)-2-methyl-1-(4-nitrophenyl)sulfanyl-2,3-dihydroindole (PubChem CID 2319706) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is (2S)-2-methyl-1-(4-nitrophenyl)sulfanyl-2,3-dihydroindole.

Molecular Properties

Compound Name(2S)-2-methyl-1-(4-nitrophenyl)sulfanyl-2,3-dihydroindole
PubChem CID2319706
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name(2S)-2-methyl-1-(4-nitrophenyl)sulfanyl-2,3-dihydroindole
SMILESC[C@H]1Cc2ccccc2N1Sc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H14N2O2S/c1-11-10-12-4-2-3-5-15(12)16(11)20-14-8-6-13(7-9-14)17(18)19/h2-9,11H,10H2,1H3/t11-/m0/s1
InChIKeySUVPYTDLXDOSFZ-NSHDSACASA-N
XLogP4.05
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-(4-nitrophenyl)sulfanyl-2,3-dihydroindole?
The IUPAC name of (2S)-2-methyl-1-(4-nitrophenyl)sulfanyl-2,3-dihydroindole (CID 2319706) is (2S)-2-methyl-1-(4-nitrophenyl)sulfanyl-2,3-dihydroindole.
What is the SMILES notation for (2S)-2-methyl-1-(4-nitrophenyl)sulfanyl-2,3-dihydroindole?
The canonical SMILES for (2S)-2-methyl-1-(4-nitrophenyl)sulfanyl-2,3-dihydroindole is C[C@H]1Cc2ccccc2N1Sc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2S)-2-methyl-1-(4-nitrophenyl)sulfanyl-2,3-dihydroindole?
The InChIKey is SUVPYTDLXDOSFZ-NSHDSACASA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-11-10-12-4-2-3-5-15(12)16(11)20-14-8-6-13(7-9-14)17(18)19/h2-9,11H,10H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-2-methyl-1-(4-nitrophenyl)sulfanyl-2,3-dihydroindole?
(2S)-2-methyl-1-(4-nitrophenyl)sulfanyl-2,3-dihydroindole has a molecular weight of 286.36 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-(4-nitrophenyl)sulfanyl-2,3-dihydroindole is sourced from PubChem (CID 2319706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).