(2R)-3-(1H-indol-3-yl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]propan-1-ol

C17H20N2OS — CID 97232173

IUPAC(2R)-3-(1H-indol-3-yl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]propan-1-ol
SMILESC[C@@H](N[C@@H](CO)Cc1c[nH]c2ccccc12)c1cccs1
InChIInChI=1S/C17H20N2OS/c1-12(17-7-4-8-21-17)19-14(11-20)9-13-10-18-16-6-3-2-5-15(13)16/h2-8,10,12,14,18-20H,9,11H2,1H3/t12-,14-/m1/s1
InChIKeySWWTVZSJSRQELA-TZMCWYRMSA-N
MW300.43 g/mol
LogP3.48
Rot. Bonds6

About (2R)-3-(1H-indol-3-yl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]propan-1-ol

(2R)-3-(1H-indol-3-yl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]propan-1-ol (PubChem CID 97232173) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is (2R)-3-(1H-indol-3-yl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]propan-1-ol.

Molecular Properties

Compound Name(2R)-3-(1H-indol-3-yl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]propan-1-ol
PubChem CID97232173
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name(2R)-3-(1H-indol-3-yl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]propan-1-ol
SMILESC[C@@H](N[C@@H](CO)Cc1c[nH]c2ccccc12)c1cccs1
InChIInChI=1S/C17H20N2OS/c1-12(17-7-4-8-21-17)19-14(11-20)9-13-10-18-16-6-3-2-5-15(13)16/h2-8,10,12,14,18-20H,9,11H2,1H3/t12-,14-/m1/s1
InChIKeySWWTVZSJSRQELA-TZMCWYRMSA-N
XLogP3.48
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-3-(1H-indol-3-yl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]propan-1-ol with MolForge

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Related Compounds

(2R)-3-(1H-indol-3-yl)-2-[[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]propan-1-ol
CID 97232177
(2R)-3-(1H-indol-3-yl)-2-[[(1S)-1-(4-nitrophenyl)ethyl]amino]propan-1-ol
CID 97322520
3-(1H-indol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 41291005
2-(1-thiophen-2-ylethylamino)butan-1-ol
CID 43207104
3-(1H-indol-3-yl)-2-thiophen-2-ylpropanoic acid
CID 82021366
2-[(4-tert-butylphenyl)sulfanylamino]-3-(1H-indol-3-yl)propan-1-ol
CID 142868442
2,6-dimethyl-N-(1-thiophen-2-ylethyl)heptan-4-amine
CID 43104723
tert-butyl N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate
CID 20744818
N-[1-(1H-indol-3-yl)propan-2-yl]thiophene-2-sulfonamide
CID 3777897
(2S)-1-(1H-indol-3-yl)-N-methylbutan-2-amine
CID 96657140
N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,5-dimethylbenzenesulfonamide
CID 166232780
2-benzyl-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide
CID 10716621

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(1H-indol-3-yl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]propan-1-ol?
The IUPAC name of (2R)-3-(1H-indol-3-yl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]propan-1-ol (CID 97232173) is (2R)-3-(1H-indol-3-yl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]propan-1-ol.
What is the SMILES notation for (2R)-3-(1H-indol-3-yl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]propan-1-ol?
The canonical SMILES for (2R)-3-(1H-indol-3-yl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]propan-1-ol is C[C@@H](N[C@@H](CO)Cc1c[nH]c2ccccc12)c1cccs1.
What is the InChIKey of (2R)-3-(1H-indol-3-yl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]propan-1-ol?
The InChIKey is SWWTVZSJSRQELA-TZMCWYRMSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-12(17-7-4-8-21-17)19-14(11-20)9-13-10-18-16-6-3-2-5-15(13)16/h2-8,10,12,14,18-20H,9,11H2,1H3/t12-,14-/m1/s1.
What are the key properties of (2R)-3-(1H-indol-3-yl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]propan-1-ol?
(2R)-3-(1H-indol-3-yl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]propan-1-ol has a molecular weight of 300.43 g/mol, XLogP of 3.48, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(1H-indol-3-yl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]propan-1-ol is sourced from PubChem (CID 97232173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).