(2R)-1-(1H-indol-3-yl)-2-[methyl(thiophen-3-ylmethyl)amino]propan-1-one

C17H18N2OS — CID 8925594

IUPAC(2R)-1-(1H-indol-3-yl)-2-[methyl(thiophen-3-ylmethyl)amino]propan-1-one
SMILESC[C@H](C(=O)c1c[nH]c2ccccc12)N(C)Cc1ccsc1
InChIInChI=1S/C17H18N2OS/c1-12(19(2)10-13-7-8-21-11-13)17(20)15-9-18-16-6-4-3-5-14(15)16/h3-9,11-12,18H,10H2,1-2H3/t12-/m1/s1
InChIKeyFMOBAXVOVTWDDC-GFCCVEGCSA-N
MW298.41 g/mol
LogP3.93
Rot. Bonds5

About (2R)-1-(1H-indol-3-yl)-2-[methyl(thiophen-3-ylmethyl)amino]propan-1-one

(2R)-1-(1H-indol-3-yl)-2-[methyl(thiophen-3-ylmethyl)amino]propan-1-one (PubChem CID 8925594) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is (2R)-1-(1H-indol-3-yl)-2-[methyl(thiophen-3-ylmethyl)amino]propan-1-one.

Molecular Properties

Compound Name(2R)-1-(1H-indol-3-yl)-2-[methyl(thiophen-3-ylmethyl)amino]propan-1-one
PubChem CID8925594
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name(2R)-1-(1H-indol-3-yl)-2-[methyl(thiophen-3-ylmethyl)amino]propan-1-one
SMILESC[C@H](C(=O)c1c[nH]c2ccccc12)N(C)Cc1ccsc1
InChIInChI=1S/C17H18N2OS/c1-12(19(2)10-13-7-8-21-11-13)17(20)15-9-18-16-6-4-3-5-14(15)16/h3-9,11-12,18H,10H2,1-2H3/t12-/m1/s1
InChIKeyFMOBAXVOVTWDDC-GFCCVEGCSA-N
XLogP3.93
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-(1H-indol-3-yl)-2-[methyl(thiophen-3-ylmethyl)amino]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(4-chlorophenyl)methyl-methylamino]-1-(1H-indol-3-yl)propan-1-one
CID 8540477
(2S)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(1H-indol-3-yl)propan-1-one
CID 8787115
4-[[[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 34640796
[2-(1H-indol-3-yl)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 3937877
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium
CID 8804430
2-[methyl(thiophen-3-ylmethyl)amino]propanehydrazide
CID 55215186
(2S)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-1-(1H-indol-3-yl)-2-phenylethanone
CID 8774768
1-(1H-indol-3-yl)-2-(methylamino)butan-1-one
CID 82284949
3-[1H-indol-3-ylmethyl(methyl)amino]-2-methylpropanoic acid
CID 65067496
methyl N-[(2S)-2-[methyl(thiophen-3-ylmethyl)amino]propanoyl]carbamate
CID 8925835
CID 159289295
CID 159289295
2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(1H-indol-3-yl)ethanone
CID 47406128

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1H-indol-3-yl)-2-[methyl(thiophen-3-ylmethyl)amino]propan-1-one?
The IUPAC name of (2R)-1-(1H-indol-3-yl)-2-[methyl(thiophen-3-ylmethyl)amino]propan-1-one (CID 8925594) is (2R)-1-(1H-indol-3-yl)-2-[methyl(thiophen-3-ylmethyl)amino]propan-1-one.
What is the SMILES notation for (2R)-1-(1H-indol-3-yl)-2-[methyl(thiophen-3-ylmethyl)amino]propan-1-one?
The canonical SMILES for (2R)-1-(1H-indol-3-yl)-2-[methyl(thiophen-3-ylmethyl)amino]propan-1-one is C[C@H](C(=O)c1c[nH]c2ccccc12)N(C)Cc1ccsc1.
What is the InChIKey of (2R)-1-(1H-indol-3-yl)-2-[methyl(thiophen-3-ylmethyl)amino]propan-1-one?
The InChIKey is FMOBAXVOVTWDDC-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-12(19(2)10-13-7-8-21-11-13)17(20)15-9-18-16-6-4-3-5-14(15)16/h3-9,11-12,18H,10H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-1-(1H-indol-3-yl)-2-[methyl(thiophen-3-ylmethyl)amino]propan-1-one?
(2R)-1-(1H-indol-3-yl)-2-[methyl(thiophen-3-ylmethyl)amino]propan-1-one has a molecular weight of 298.41 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1H-indol-3-yl)-2-[methyl(thiophen-3-ylmethyl)amino]propan-1-one is sourced from PubChem (CID 8925594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).