(2S)-N-(2-ethylsulfinylethyl)-2,3-dihydro-1H-indole-2-carboxamide

C13H18N2O2S — CID 113494764

IUPAC(2S)-N-(2-ethylsulfinylethyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESCCS(=O)CCNC(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C13H18N2O2S/c1-2-18(17)8-7-14-13(16)12-9-10-5-3-4-6-11(10)15-12/h3-6,12,15H,2,7-9H2,1H3,(H,14,16)/t12-,18?/m0/s1
InChIKeyPFKJXBVTKYABIU-RSXQAXDFSA-N
MW266.37 g/mol
LogP0.91
Rot. Bonds5

About (2S)-N-(2-ethylsulfinylethyl)-2,3-dihydro-1H-indole-2-carboxamide

(2S)-N-(2-ethylsulfinylethyl)-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 113494764) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is (2S)-N-(2-ethylsulfinylethyl)-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-ethylsulfinylethyl)-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID113494764
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name(2S)-N-(2-ethylsulfinylethyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESCCS(=O)CCNC(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C13H18N2O2S/c1-2-18(17)8-7-14-13(16)12-9-10-5-3-4-6-11(10)15-12/h3-6,12,15H,2,7-9H2,1H3,(H,14,16)/t12-,18?/m0/s1
InChIKeyPFKJXBVTKYABIU-RSXQAXDFSA-N
XLogP0.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-pentyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61148939
N-[2-[ethyl(methyl)amino]ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76947537
3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
CID 61157648
(2S)-N-(3-ethoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61148271
methyl 3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoate;hydrochloride
CID 67874407
N-(4-hydroxybutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 106842127
N-(3-methoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76892809
N-pent-4-enyl-2,3-dihydro-1H-indole-2-carboxamide
CID 114264870
(2S)-N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 63957351
N-[1-(ethylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76893181
(2S)-N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 65106564
(2S)-N-(2,3-dimethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 64599096

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-ethylsulfinylethyl)-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-N-(2-ethylsulfinylethyl)-2,3-dihydro-1H-indole-2-carboxamide (CID 113494764) is (2S)-N-(2-ethylsulfinylethyl)-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-ethylsulfinylethyl)-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-N-(2-ethylsulfinylethyl)-2,3-dihydro-1H-indole-2-carboxamide is CCS(=O)CCNC(=O)[C@@H]1Cc2ccccc2N1.
What is the InChIKey of (2S)-N-(2-ethylsulfinylethyl)-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is PFKJXBVTKYABIU-RSXQAXDFSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-2-18(17)8-7-14-13(16)12-9-10-5-3-4-6-11(10)15-12/h3-6,12,15H,2,7-9H2,1H3,(H,14,16)/t12-,18?/m0/s1.
What are the key properties of (2S)-N-(2-ethylsulfinylethyl)-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-N-(2-ethylsulfinylethyl)-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-ethylsulfinylethyl)-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 113494764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).