1,3-dimethyl-5-(4-methylpiperazin-1-yl)sulfonylindole

C15H21N3O2S — CID 169298772

IUPAC1,3-dimethyl-5-(4-methylpiperazin-1-yl)sulfonylindole
SMILESCc1cn(C)c2ccc(S(=O)(=O)N3CCN(C)CC3)cc12
InChIInChI=1S/C15H21N3O2S/c1-12-11-17(3)15-5-4-13(10-14(12)15)21(19,20)18-8-6-16(2)7-9-18/h4-5,10-11H,6-9H2,1-3H3
InChIKeyFHZXKODEQUEZOX-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.42
Rot. Bonds2

About 1,3-dimethyl-5-(4-methylpiperazin-1-yl)sulfonylindole

1,3-dimethyl-5-(4-methylpiperazin-1-yl)sulfonylindole (PubChem CID 169298772) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 1,3-dimethyl-5-(4-methylpiperazin-1-yl)sulfonylindole.

Molecular Properties

Compound Name1,3-dimethyl-5-(4-methylpiperazin-1-yl)sulfonylindole
PubChem CID169298772
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name1,3-dimethyl-5-(4-methylpiperazin-1-yl)sulfonylindole
SMILESCc1cn(C)c2ccc(S(=O)(=O)N3CCN(C)CC3)cc12
InChIInChI=1S/C15H21N3O2S/c1-12-11-17(3)15-5-4-13(10-14(12)15)21(19,20)18-8-6-16(2)7-9-18/h4-5,10-11H,6-9H2,1-3H3
InChIKeyFHZXKODEQUEZOX-UHFFFAOYSA-N
XLogP1.42
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1-methyl-5-piperidin-1-ylsulfonylindole-3-carbaldehyde
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CID 12035988
1,2-dimethyl-5-(4-methylpiperazin-1-yl)sulfonylbenzimidazole
CID 110760387
1-methyl-4-[4-(4-methylphenyl)phenyl]sulfonylpiperazine
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1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine
CID 32737600
1-methyl-4-naphthalen-2-ylsulfonylpiperazine
CID 872090
6-(4-methylpiperazin-1-yl)sulfonylquinazoline-2,4-diamine
CID 516579
1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 2354155
2-chloro-5-(4-methylpiperazin-1-yl)sulfonylbenzoic acid
CID 22012946
1-methyl-4-oxo-N,N-dipropyl-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide
CID 15996290
1-(3,4-dichlorophenyl)sulfonyl-4-methyl-1,4-diazepane chloride
CID 53350706

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(4-methylpiperazin-1-yl)sulfonylindole?
The IUPAC name of 1,3-dimethyl-5-(4-methylpiperazin-1-yl)sulfonylindole (CID 169298772) is 1,3-dimethyl-5-(4-methylpiperazin-1-yl)sulfonylindole.
What is the SMILES notation for 1,3-dimethyl-5-(4-methylpiperazin-1-yl)sulfonylindole?
The canonical SMILES for 1,3-dimethyl-5-(4-methylpiperazin-1-yl)sulfonylindole is Cc1cn(C)c2ccc(S(=O)(=O)N3CCN(C)CC3)cc12.
What is the InChIKey of 1,3-dimethyl-5-(4-methylpiperazin-1-yl)sulfonylindole?
The InChIKey is FHZXKODEQUEZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-12-11-17(3)15-5-4-13(10-14(12)15)21(19,20)18-8-6-16(2)7-9-18/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-(4-methylpiperazin-1-yl)sulfonylindole?
1,3-dimethyl-5-(4-methylpiperazin-1-yl)sulfonylindole has a molecular weight of 307.42 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(4-methylpiperazin-1-yl)sulfonylindole is sourced from PubChem (CID 169298772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).