2H-chromen-3-yl-(4-propylsulfonylpiperazin-1-yl)methanone

C17H22N2O4S — CID 75538257

IUPAC2H-chromen-3-yl-(4-propylsulfonylpiperazin-1-yl)methanone
SMILESCCCS(=O)(=O)N1CCN(C(=O)C2=Cc3ccccc3OC2)CC1
InChIInChI=1S/C17H22N2O4S/c1-2-11-24(21,22)19-9-7-18(8-10-19)17(20)15-12-14-5-3-4-6-16(14)23-13-15/h3-6,12H,2,7-11,13H2,1H3
InChIKeyCHRXGOIZFJPDJB-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.35
Rot. Bonds4

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

2H-chromen-3-yl-(4-propylsulfonylpiperazin-1-yl)methanone (PubChem CID 75538257) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is 2H-chromen-3-yl-(4-propylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name2H-chromen-3-yl-(4-propylsulfonylpiperazin-1-yl)methanone
PubChem CID75538257
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Name2H-chromen-3-yl-(4-propylsulfonylpiperazin-1-yl)methanone
SMILESCCCS(=O)(=O)N1CCN(C(=O)C2=Cc3ccccc3OC2)CC1
InChIInChI=1S/C17H22N2O4S/c1-2-11-24(21,22)19-9-7-18(8-10-19)17(20)15-12-14-5-3-4-6-16(14)23-13-15/h3-6,12H,2,7-11,13H2,1H3
InChIKeyCHRXGOIZFJPDJB-UHFFFAOYSA-N
XLogP1.35
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2H-chromen-3-yl-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 95753378
2H-chromen-3-yl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 33183639
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(2H-chromen-3-yl)methanone
CID 26810605
1-(2H-chromene-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251080
phenyl-(4-propylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110798192
(4-chlorophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 777474
(4-fluorophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone;oxalic acid
CID 171154802
2-[4-(2H-chromene-3-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 26816176
(4-propylphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 47886259
(4-fluorophenyl)-(4-propylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110798399
ethyl N-[(3S)-1-(2H-chromene-3-carbonyl)piperidin-3-yl]carbamate
CID 95311873
(4-ethoxyphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 110804828

Frequently Asked Questions

What is the IUPAC name of 2H-chromen-3-yl-(4-propylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of 2H-chromen-3-yl-(4-propylsulfonylpiperazin-1-yl)methanone (CID 75538257) is 2H-chromen-3-yl-(4-propylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for 2H-chromen-3-yl-(4-propylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for 2H-chromen-3-yl-(4-propylsulfonylpiperazin-1-yl)methanone is CCCS(=O)(=O)N1CCN(C(=O)C2=Cc3ccccc3OC2)CC1.
What is the InChIKey of 2H-chromen-3-yl-(4-propylsulfonylpiperazin-1-yl)methanone?
The InChIKey is CHRXGOIZFJPDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-2-11-24(21,22)19-9-7-18(8-10-19)17(20)15-12-14-5-3-4-6-16(14)23-13-15/h3-6,12H,2,7-11,13H2,1H3.
What are the key properties of 2H-chromen-3-yl-(4-propylsulfonylpiperazin-1-yl)methanone?
2H-chromen-3-yl-(4-propylsulfonylpiperazin-1-yl)methanone has a molecular weight of 350.44 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-chromen-3-yl-(4-propylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 75538257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).