1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-4-ethylsulfonylpiperazine

C15H22N2O5S2 — CID 110819027

IUPAC1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-4-ethylsulfonylpiperazine
SMILESCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCO3)CC1
InChIInChI=1S/C15H22N2O5S2/c1-2-23(18,19)16-7-9-17(10-8-16)24(20,21)14-5-6-15-13(12-14)4-3-11-22-15/h5-6,12H,2-4,7-11H2,1H3
InChIKeyWBQCWOXEFDWUSU-UHFFFAOYSA-N
MW374.48 g/mol
LogP0.67
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-4-ethylsulfonylpiperazine

1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-4-ethylsulfonylpiperazine (PubChem CID 110819027) has the molecular formula C15H22N2O5S2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-4-ethylsulfonylpiperazine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-4-ethylsulfonylpiperazine
PubChem CID110819027
Molecular FormulaC15H22N2O5S2
Molecular Weight374.48 g/mol
Exact Mass374.10
IUPAC Name1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-4-ethylsulfonylpiperazine
SMILESCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCO3)CC1
InChIInChI=1S/C15H22N2O5S2/c1-2-23(18,19)16-7-9-17(10-8-16)24(20,21)14-5-6-15-13(12-14)4-3-11-22-15/h5-6,12H,2-4,7-11H2,1H3
InChIKeyWBQCWOXEFDWUSU-UHFFFAOYSA-N
XLogP0.67
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-1,4-diazepane
CID 98781188
1-[4-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
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[1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine
CID 120778074
3,4-dihydro-2H-chromene-6-sulfonic acid
CID 22471808
(3S,4S)-1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-4-methylpyrrolidine-3-carboxylic acid
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3,4-dihydro-2H-chromene-6-sulfonyl chloride;ethane
CID 123201735
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-amine
CID 43556396
6-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-N,N-diethylpyridazin-3-amine
CID 122335661
1-[5-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-3-hydroxy-2,2-dimethylpropan-1-one
CID 160500325

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-4-ethylsulfonylpiperazine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-4-ethylsulfonylpiperazine (CID 110819027) is 1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-4-ethylsulfonylpiperazine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-4-ethylsulfonylpiperazine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-4-ethylsulfonylpiperazine is CCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCO3)CC1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-4-ethylsulfonylpiperazine?
The InChIKey is WBQCWOXEFDWUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S2/c1-2-23(18,19)16-7-9-17(10-8-16)24(20,21)14-5-6-15-13(12-14)4-3-11-22-15/h5-6,12H,2-4,7-11H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-4-ethylsulfonylpiperazine?
1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-4-ethylsulfonylpiperazine has a molecular weight of 374.48 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-4-ethylsulfonylpiperazine is sourced from PubChem (CID 110819027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).