(2-methyl-1H-indol-3-yl)-(4-propylsulfonylpiperazin-1-yl)methanone

C17H23N3O3S — CID 110804851

IUPAC(2-methyl-1H-indol-3-yl)-(4-propylsulfonylpiperazin-1-yl)methanone
SMILESCCCS(=O)(=O)N1CCN(C(=O)c2c(C)[nH]c3ccccc23)CC1
InChIInChI=1S/C17H23N3O3S/c1-3-12-24(22,23)20-10-8-19(9-11-20)17(21)16-13(2)18-15-7-5-4-6-14(15)16/h4-7,18H,3,8-12H2,1-2H3
InChIKeyFRHPYPZPCVUUTM-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.97
Rot. Bonds4

About (2-methyl-1H-indol-3-yl)-(4-propylsulfonylpiperazin-1-yl)methanone

(2-methyl-1H-indol-3-yl)-(4-propylsulfonylpiperazin-1-yl)methanone (PubChem CID 110804851) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is (2-methyl-1H-indol-3-yl)-(4-propylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-methyl-1H-indol-3-yl)-(4-propylsulfonylpiperazin-1-yl)methanone
PubChem CID110804851
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name(2-methyl-1H-indol-3-yl)-(4-propylsulfonylpiperazin-1-yl)methanone
SMILESCCCS(=O)(=O)N1CCN(C(=O)c2c(C)[nH]c3ccccc23)CC1
InChIInChI=1S/C17H23N3O3S/c1-3-12-24(22,23)20-10-8-19(9-11-20)17(21)16-13(2)18-15-7-5-4-6-14(15)16/h4-7,18H,3,8-12H2,1-2H3
InChIKeyFRHPYPZPCVUUTM-UHFFFAOYSA-N
XLogP1.97
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-indol-3-yl-(4-propylsulfonylpiperazin-1-yl)methanone
CID 110804849
1-[4-(2-methyl-1H-indole-3-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110805781
[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-(2-methyl-1H-indol-3-yl)methanone
CID 95350137
ethyl 4-(2-methyl-1H-indole-3-carbonyl)-1,4-diazepane-1-carboxylate
CID 110809009
2-ethyl-1-[4-(2-methyl-1H-indole-3-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110807639
(2-methyl-1H-indol-3-yl)-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]methanone
CID 134044753
(2-methyl-1H-indol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 26737234
2-methylpropyl 4-(2-methyl-1H-indole-3-carbonyl)-1,4-diazepane-1-carboxylate
CID 60619016
[4-(2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 110802927
phenyl-(4-propylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110798192
[3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone
CID 62348603
(4-butylsulfonylpiperazin-1-yl)-naphthalen-1-ylmethanone
CID 108569232

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1H-indol-3-yl)-(4-propylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (2-methyl-1H-indol-3-yl)-(4-propylsulfonylpiperazin-1-yl)methanone (CID 110804851) is (2-methyl-1H-indol-3-yl)-(4-propylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-methyl-1H-indol-3-yl)-(4-propylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (2-methyl-1H-indol-3-yl)-(4-propylsulfonylpiperazin-1-yl)methanone is CCCS(=O)(=O)N1CCN(C(=O)c2c(C)[nH]c3ccccc23)CC1.
What is the InChIKey of (2-methyl-1H-indol-3-yl)-(4-propylsulfonylpiperazin-1-yl)methanone?
The InChIKey is FRHPYPZPCVUUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-3-12-24(22,23)20-10-8-19(9-11-20)17(21)16-13(2)18-15-7-5-4-6-14(15)16/h4-7,18H,3,8-12H2,1-2H3.
What are the key properties of (2-methyl-1H-indol-3-yl)-(4-propylsulfonylpiperazin-1-yl)methanone?
(2-methyl-1H-indol-3-yl)-(4-propylsulfonylpiperazin-1-yl)methanone has a molecular weight of 349.46 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1H-indol-3-yl)-(4-propylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 110804851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).