(2S)-N-(3-indol-1-ylpropyl)-2-methylsulfonylpropanamide

C15H20N2O3S — CID 94154350

IUPAC(2S)-N-(3-indol-1-ylpropyl)-2-methylsulfonylpropanamide
SMILESC[C@@H](C(=O)NCCCn1ccc2ccccc21)S(C)(=O)=O
InChIInChI=1S/C15H20N2O3S/c1-12(21(2,19)20)15(18)16-9-5-10-17-11-8-13-6-3-4-7-14(13)17/h3-4,6-8,11-12H,5,9-10H2,1-2H3,(H,16,18)/t12-/m0/s1
InChIKeyXHCJBUOGTNBZMH-LBPRGKRZSA-N
MW308.40 g/mol
LogP1.58
Rot. Bonds6

About (2S)-N-(3-indol-1-ylpropyl)-2-methylsulfonylpropanamide

(2S)-N-(3-indol-1-ylpropyl)-2-methylsulfonylpropanamide (PubChem CID 94154350) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is (2S)-N-(3-indol-1-ylpropyl)-2-methylsulfonylpropanamide.

Molecular Properties

Compound Name(2S)-N-(3-indol-1-ylpropyl)-2-methylsulfonylpropanamide
PubChem CID94154350
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name(2S)-N-(3-indol-1-ylpropyl)-2-methylsulfonylpropanamide
SMILESC[C@@H](C(=O)NCCCn1ccc2ccccc21)S(C)(=O)=O
InChIInChI=1S/C15H20N2O3S/c1-12(21(2,19)20)15(18)16-9-5-10-17-11-8-13-6-3-4-7-14(13)17/h3-4,6-8,11-12H,5,9-10H2,1-2H3,(H,16,18)/t12-/m0/s1
InChIKeyXHCJBUOGTNBZMH-LBPRGKRZSA-N
XLogP1.58
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide
CID 113218212
N-(3-indol-1-ylpropyl)-2-methyl-2-(methylamino)propanamide
CID 62845640
1-[[2-(hydroxymethyl)phenyl]methyl]-3-(3-indol-1-ylpropyl)urea
CID 110911712
N-(3-indol-1-ylpropyl)-4-methylsulfonylpiperazine-1-carboxamide
CID 132761951
N-(3-indol-1-ylpropyl)-1-methylpyrrole-2-carboxamide
CID 78799397
(2S)-2-(4-fluorophenyl)-3-hydroxy-N-(3-indol-1-ylpropyl)propanamide
CID 124727193
2,2,3,3-tetrafluoro-N-(3-indol-1-ylpropyl)propanamide
CID 103732076
1-(3-indol-1-ylpropyl)-3-(3-piperidin-1-ylpropyl)urea
CID 112806234
N-(3-indol-1-ylpropyl)-3-(4-methylphenyl)propanamide
CID 24554706
N-(3-indol-1-ylpropyl)-2-(2-methoxyphenoxy)acetamide
CID 18120698
N-(3-indol-1-ylpropyl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 70782360
4-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide
CID 2489290

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-indol-1-ylpropyl)-2-methylsulfonylpropanamide?
The IUPAC name of (2S)-N-(3-indol-1-ylpropyl)-2-methylsulfonylpropanamide (CID 94154350) is (2S)-N-(3-indol-1-ylpropyl)-2-methylsulfonylpropanamide.
What is the SMILES notation for (2S)-N-(3-indol-1-ylpropyl)-2-methylsulfonylpropanamide?
The canonical SMILES for (2S)-N-(3-indol-1-ylpropyl)-2-methylsulfonylpropanamide is C[C@@H](C(=O)NCCCn1ccc2ccccc21)S(C)(=O)=O.
What is the InChIKey of (2S)-N-(3-indol-1-ylpropyl)-2-methylsulfonylpropanamide?
The InChIKey is XHCJBUOGTNBZMH-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-12(21(2,19)20)15(18)16-9-5-10-17-11-8-13-6-3-4-7-14(13)17/h3-4,6-8,11-12H,5,9-10H2,1-2H3,(H,16,18)/t12-/m0/s1.
What are the key properties of (2S)-N-(3-indol-1-ylpropyl)-2-methylsulfonylpropanamide?
(2S)-N-(3-indol-1-ylpropyl)-2-methylsulfonylpropanamide has a molecular weight of 308.40 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-indol-1-ylpropyl)-2-methylsulfonylpropanamide is sourced from PubChem (CID 94154350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).