5-[3-(1,1-dioxothian-4-yl)-1H-indol-5-yl]-N,N-dimethylpyridin-2-amine

C20H23N3O2S — CID 141221062

IUPAC5-[3-(1,1-dioxothian-4-yl)-1H-indol-5-yl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(-c2ccc3[nH]cc(C4CCS(=O)(=O)CC4)c3c2)cn1
InChIInChI=1S/C20H23N3O2S/c1-23(2)20-6-4-16(12-22-20)15-3-5-19-17(11-15)18(13-21-19)14-7-9-26(24,25)10-8-14/h3-6,11-14,21H,7-10H2,1-2H3
InChIKeyAKVDDVIVTXOYKZ-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.59
Rot. Bonds3

About 5-[3-(1,1-dioxothian-4-yl)-1H-indol-5-yl]-N,N-dimethylpyridin-2-amine

5-[3-(1,1-dioxothian-4-yl)-1H-indol-5-yl]-N,N-dimethylpyridin-2-amine (PubChem CID 141221062) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 5-[3-(1,1-dioxothian-4-yl)-1H-indol-5-yl]-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-[3-(1,1-dioxothian-4-yl)-1H-indol-5-yl]-N,N-dimethylpyridin-2-amine
PubChem CID141221062
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name5-[3-(1,1-dioxothian-4-yl)-1H-indol-5-yl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(-c2ccc3[nH]cc(C4CCS(=O)(=O)CC4)c3c2)cn1
InChIInChI=1S/C20H23N3O2S/c1-23(2)20-6-4-16(12-22-20)15-3-5-19-17(11-15)18(13-21-19)14-7-9-26(24,25)10-8-14/h3-6,11-14,21H,7-10H2,1-2H3
InChIKeyAKVDDVIVTXOYKZ-UHFFFAOYSA-N
XLogP3.59
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 5358
Eletriptan
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CID 656631
Nvs-cecr2-1
CID 117072550
N-(1,1-Dioxidotetrahydro-2h-Thiopyran-4-Yl)-4-[2-(1-Methylethyl)-1h-Pyrrolo[2,3-B]pyridin-4-Yl]benzenesulfonamide
CID 59744451
5-[2-(benzenesulfonyl)ethyl]-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
CID 156850
4-[2-[2,2-bis(1H-indol-3-yl)ethyl]phenyl]-1,4-thiazinane 1,1-dioxide
CID 235012
DC-BPi-03
CID 155903113
6-[1-[3-(dimethylamino)propyl]indol-5-yl]-2-methylsulfonyl-N-propyl-pyrimidin-4-amine
CID 155903114
(3H)sumatriptan
CID 53325948

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1,1-dioxothian-4-yl)-1H-indol-5-yl]-N,N-dimethylpyridin-2-amine?
The IUPAC name of 5-[3-(1,1-dioxothian-4-yl)-1H-indol-5-yl]-N,N-dimethylpyridin-2-amine (CID 141221062) is 5-[3-(1,1-dioxothian-4-yl)-1H-indol-5-yl]-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 5-[3-(1,1-dioxothian-4-yl)-1H-indol-5-yl]-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 5-[3-(1,1-dioxothian-4-yl)-1H-indol-5-yl]-N,N-dimethylpyridin-2-amine is CN(C)c1ccc(-c2ccc3[nH]cc(C4CCS(=O)(=O)CC4)c3c2)cn1.
What is the InChIKey of 5-[3-(1,1-dioxothian-4-yl)-1H-indol-5-yl]-N,N-dimethylpyridin-2-amine?
The InChIKey is AKVDDVIVTXOYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-23(2)20-6-4-16(12-22-20)15-3-5-19-17(11-15)18(13-21-19)14-7-9-26(24,25)10-8-14/h3-6,11-14,21H,7-10H2,1-2H3.
What are the key properties of 5-[3-(1,1-dioxothian-4-yl)-1H-indol-5-yl]-N,N-dimethylpyridin-2-amine?
5-[3-(1,1-dioxothian-4-yl)-1H-indol-5-yl]-N,N-dimethylpyridin-2-amine has a molecular weight of 369.49 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1,1-dioxothian-4-yl)-1H-indol-5-yl]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 141221062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).