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

C16H21N3O3S — CID 110804849

IUPAC1H-indol-3-yl-(4-propylsulfonylpiperazin-1-yl)methanone
SMILESCCCS(=O)(=O)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C16H21N3O3S/c1-2-11-23(21,22)19-9-7-18(8-10-19)16(20)14-12-17-15-6-4-3-5-13(14)15/h3-6,12,17H,2,7-11H2,1H3
InChIKeyVMZOBYDGFGXTSR-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.67
Rot. Bonds4

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

1H-indol-3-yl-(4-propylsulfonylpiperazin-1-yl)methanone (PubChem CID 110804849) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 1H-indol-3-yl-(4-propylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name1H-indol-3-yl-(4-propylsulfonylpiperazin-1-yl)methanone
PubChem CID110804849
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name1H-indol-3-yl-(4-propylsulfonylpiperazin-1-yl)methanone
SMILESCCCS(=O)(=O)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C16H21N3O3S/c1-2-11-23(21,22)19-9-7-18(8-10-19)16(20)14-12-17-15-6-4-3-5-13(14)15/h3-6,12,17H,2,7-11H2,1H3
InChIKeyVMZOBYDGFGXTSR-UHFFFAOYSA-N
XLogP1.67
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-1H-indol-3-yl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 110804851
1-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110803979
oxalic acid;3-[(4-propylsulfonylpiperazin-1-yl)methyl]-1H-indole
CID 2900301
1-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]pentan-1-one
CID 49206011
(4-butylsulfonylpiperazin-1-yl)-naphthalen-1-ylmethanone
CID 108569232
1H-indol-3-yl(morpholin-4-yl)methanone
CID 1481812
(4-ethyl-3-methylpiperazin-1-yl)-(1H-indol-3-yl)methanone
CID 63605636
1-(1H-indol-3-ylmethyl)-5-(4-propylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 91955673
phenyl-(4-propylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110798192
(3-ethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone
CID 113253973
1H-indol-3-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 86188477
8-hydroxy-1-[4-(1H-indole-3-carbonyl)piperazin-1-yl]octane-1,7-dione
CID 58509565

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl-(4-propylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of 1H-indol-3-yl-(4-propylsulfonylpiperazin-1-yl)methanone (CID 110804849) is 1H-indol-3-yl-(4-propylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for 1H-indol-3-yl-(4-propylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for 1H-indol-3-yl-(4-propylsulfonylpiperazin-1-yl)methanone is CCCS(=O)(=O)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 1H-indol-3-yl-(4-propylsulfonylpiperazin-1-yl)methanone?
The InChIKey is VMZOBYDGFGXTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-2-11-23(21,22)19-9-7-18(8-10-19)16(20)14-12-17-15-6-4-3-5-13(14)15/h3-6,12,17H,2,7-11H2,1H3.
What are the key properties of 1H-indol-3-yl-(4-propylsulfonylpiperazin-1-yl)methanone?
1H-indol-3-yl-(4-propylsulfonylpiperazin-1-yl)methanone has a molecular weight of 335.43 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl-(4-propylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 110804849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).