3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-[(2-methylpyrazol-3-yl)amino]indole

C20H30N6O2S — CID 166911075

IUPAC3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-[(2-methylpyrazol-3-yl)amino]indole
SMILESCC(C)Cn1cc(CCNS(=O)(=O)N(C)C)c2ccc(Nc3ccnn3C)cc21
InChIInChI=1S/C20H30N6O2S/c1-15(2)13-26-14-16(8-11-22-29(27,28)24(3)4)18-7-6-17(12-19(18)26)23-20-9-10-21-25(20)5/h6-7,9-10,12,14-15,22-23H,8,11,13H2,1-5H3
InChIKeyCVHJOPVFLXTZBA-UHFFFAOYSA-N
MW418.57 g/mol
LogP2.71
Rot. Bonds9

About 3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-[(2-methylpyrazol-3-yl)amino]indole

3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-[(2-methylpyrazol-3-yl)amino]indole (PubChem CID 166911075) has the molecular formula C20H30N6O2S and a molecular weight of 418.57 g/mol. Its IUPAC name is 3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-[(2-methylpyrazol-3-yl)amino]indole.

Molecular Properties

Compound Name3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-[(2-methylpyrazol-3-yl)amino]indole
PubChem CID166911075
Molecular FormulaC20H30N6O2S
Molecular Weight418.57 g/mol
Exact Mass418.22
IUPAC Name3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-[(2-methylpyrazol-3-yl)amino]indole
SMILESCC(C)Cn1cc(CCNS(=O)(=O)N(C)C)c2ccc(Nc3ccnn3C)cc21
InChIInChI=1S/C20H30N6O2S/c1-15(2)13-26-14-16(8-11-22-29(27,28)24(3)4)18-7-6-17(12-19(18)26)23-20-9-10-21-25(20)5/h6-7,9-10,12,14-15,22-23H,8,11,13H2,1-5H3
InChIKeyCVHJOPVFLXTZBA-UHFFFAOYSA-N
XLogP2.71
TPSA84.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.57
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-[(2-methylpyrazol-3-yl)amino]indole?
The IUPAC name of 3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-[(2-methylpyrazol-3-yl)amino]indole (CID 166911075) is 3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-[(2-methylpyrazol-3-yl)amino]indole.
What is the SMILES notation for 3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-[(2-methylpyrazol-3-yl)amino]indole?
The canonical SMILES for 3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-[(2-methylpyrazol-3-yl)amino]indole is CC(C)Cn1cc(CCNS(=O)(=O)N(C)C)c2ccc(Nc3ccnn3C)cc21.
What is the InChIKey of 3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-[(2-methylpyrazol-3-yl)amino]indole?
The InChIKey is CVHJOPVFLXTZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O2S/c1-15(2)13-26-14-16(8-11-22-29(27,28)24(3)4)18-7-6-17(12-19(18)26)23-20-9-10-21-25(20)5/h6-7,9-10,12,14-15,22-23H,8,11,13H2,1-5H3.
What are the key properties of 3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-[(2-methylpyrazol-3-yl)amino]indole?
3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-[(2-methylpyrazol-3-yl)amino]indole has a molecular weight of 418.57 g/mol, XLogP of 2.71, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-[(2-methylpyrazol-3-yl)amino]indole is sourced from PubChem (CID 166911075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).