(2S)-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-2-methylsulfonylpropanamide

C15H22N2O3S — CID 94028724

IUPAC(2S)-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-2-methylsulfonylpropanamide
SMILESC[C@H](CNC(=O)[C@H](C)S(C)(=O)=O)N1CCc2ccccc21
InChIInChI=1S/C15H22N2O3S/c1-11(10-16-15(18)12(2)21(3,19)20)17-9-8-13-6-4-5-7-14(13)17/h4-7,11-12H,8-10H2,1-3H3,(H,16,18)/t11-,12+/m1/s1
InChIKeySBHIWGXQICCJPH-NEPJUHHUSA-N
MW310.42 g/mol
LogP0.99
Rot. Bonds5

About (2S)-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-2-methylsulfonylpropanamide

(2S)-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-2-methylsulfonylpropanamide (PubChem CID 94028724) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is (2S)-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-2-methylsulfonylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-2-methylsulfonylpropanamide
PubChem CID94028724
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name(2S)-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-2-methylsulfonylpropanamide
SMILESC[C@H](CNC(=O)[C@H](C)S(C)(=O)=O)N1CCc2ccccc21
InChIInChI=1S/C15H22N2O3S/c1-11(10-16-15(18)12(2)21(3,19)20)17-9-8-13-6-4-5-7-14(13)17/h4-7,11-12H,8-10H2,1-3H3,(H,16,18)/t11-,12+/m1/s1
InChIKeySBHIWGXQICCJPH-NEPJUHHUSA-N
XLogP0.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111504884
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-phenylpropyl)urea
CID 112820237
4-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]pentanamide;dihydrochloride
CID 120564829
1-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]-3-(2-methoxyphenyl)urea
CID 38887344
2-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]benzamide;dihydrochloride
CID 119946701
(3S)-1-acetyl-N-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide
CID 51725598
3-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]-3-phenylpropanamide;dihydrochloride
CID 119953257
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110895780
N-[2-(2,3-dihydroindol-1-yl)propyl]-2-hydroxy-3-methoxybenzamide
CID 112819645
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-[1-(2-methoxyphenyl)ethyl]urea
CID 78860902
1-(4-cyanophenyl)-3-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]urea
CID 38887286
1-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-3-[2-(1,4-oxazepan-4-yl)ethyl]urea
CID 99823439

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-2-methylsulfonylpropanamide?
The IUPAC name of (2S)-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-2-methylsulfonylpropanamide (CID 94028724) is (2S)-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-2-methylsulfonylpropanamide.
What is the SMILES notation for (2S)-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-2-methylsulfonylpropanamide?
The canonical SMILES for (2S)-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-2-methylsulfonylpropanamide is C[C@H](CNC(=O)[C@H](C)S(C)(=O)=O)N1CCc2ccccc21.
What is the InChIKey of (2S)-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-2-methylsulfonylpropanamide?
The InChIKey is SBHIWGXQICCJPH-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11(10-16-15(18)12(2)21(3,19)20)17-9-8-13-6-4-5-7-14(13)17/h4-7,11-12H,8-10H2,1-3H3,(H,16,18)/t11-,12+/m1/s1.
What are the key properties of (2S)-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-2-methylsulfonylpropanamide?
(2S)-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-2-methylsulfonylpropanamide has a molecular weight of 310.42 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-2-methylsulfonylpropanamide is sourced from PubChem (CID 94028724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).