1-(3,4-dihydro-2H-chromen-4-yl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine

C19H24N2O3S2 — CID 110400097

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
SMILESCCc1ccc(S(=O)(=O)N2CCN(C3CCOc4ccccc43)CC2)s1
InChIInChI=1S/C19H24N2O3S2/c1-2-15-7-8-19(25-15)26(22,23)21-12-10-20(11-13-21)17-9-14-24-18-6-4-3-5-16(17)18/h3-8,17H,2,9-14H2,1H3
InChIKeyDPMQQMQQHGCAFR-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.14
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-4-yl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine

1-(3,4-dihydro-2H-chromen-4-yl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine (PubChem CID 110400097) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
PubChem CID110400097
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
SMILESCCc1ccc(S(=O)(=O)N2CCN(C3CCOc4ccccc43)CC2)s1
InChIInChI=1S/C19H24N2O3S2/c1-2-15-7-8-19(25-15)26(22,23)21-12-10-20(11-13-21)17-9-14-24-18-6-4-3-5-16(17)18/h3-8,17H,2,9-14H2,1H3
InChIKeyDPMQQMQQHGCAFR-UHFFFAOYSA-N
XLogP3.14
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine
CID 110755253
4-bromo-1-(5-ethylthiophen-2-yl)sulfonylpiperidine
CID 80673139
ethyl 4-(3,4-dihydro-2H-chromen-4-yl)piperazine-1-carboxylate
CID 110400066
3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]oxolan-2-one
CID 45352473
1-(5-ethylthiophen-2-yl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine
CID 90590289
1-(5-ethylthiophen-2-yl)sulfonyl-4-phenyl-1,4-diazepane
CID 87027489
1-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-phenylethanone
CID 110364906
3-(chloromethyl)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine
CID 63400980
1-(5-ethylthiophen-2-yl)sulfonyl-4-[2-(2-fluorophenyl)ethyl]piperazine
CID 110412116
1-[4-(3,4-dihydro-2H-chromen-4-yl)piperazin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 110400041
1-(5-ethylthiophen-2-yl)sulfonyl-4-(3-methylphenyl)piperazine
CID 113075282
1-(3-chlorophenyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 113076664

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine (CID 110400097) is 1-(3,4-dihydro-2H-chromen-4-yl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine is CCc1ccc(S(=O)(=O)N2CCN(C3CCOc4ccccc43)CC2)s1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine?
The InChIKey is DPMQQMQQHGCAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c1-2-15-7-8-19(25-15)26(22,23)21-12-10-20(11-13-21)17-9-14-24-18-6-4-3-5-16(17)18/h3-8,17H,2,9-14H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine?
1-(3,4-dihydro-2H-chromen-4-yl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine has a molecular weight of 392.55 g/mol, XLogP of 3.14, 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-4-yl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine is sourced from PubChem (CID 110400097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).