(1R)-1-(furan-2-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanol

C15H20N2O4S2 — CID 34523338

IUPAC(1R)-1-(furan-2-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanol
SMILESCc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)c3ccco3)CC2)s1
InChIInChI=1S/C15H20N2O4S2/c1-12-4-5-15(22-12)23(19,20)17-8-6-16(7-9-17)11-13(18)14-3-2-10-21-14/h2-5,10,13,18H,6-9,11H2,1H3/t13-/m1/s1
InChIKeyBCMPBXRXOLWSJZ-CYBMUJFWSA-N
MW356.47 g/mol
LogP1.69
Rot. Bonds5

About (1R)-1-(furan-2-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanol

(1R)-1-(furan-2-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanol (PubChem CID 34523338) has the molecular formula C15H20N2O4S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is (1R)-1-(furan-2-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-(furan-2-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanol
PubChem CID34523338
Molecular FormulaC15H20N2O4S2
Molecular Weight356.47 g/mol
Exact Mass356.09
IUPAC Name(1R)-1-(furan-2-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanol
SMILESCc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)c3ccco3)CC2)s1
InChIInChI=1S/C15H20N2O4S2/c1-12-4-5-15(22-12)23(19,20)17-8-6-16(7-9-17)11-13(18)14-3-2-10-21-14/h2-5,10,13,18H,6-9,11H2,1H3/t13-/m1/s1
InChIKeyBCMPBXRXOLWSJZ-CYBMUJFWSA-N
XLogP1.69
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1S)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-1-(furan-2-yl)ethanol
CID 34523315
(1S)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-(furan-2-yl)ethanol
CID 34514470
1-(furan-2-yl)-2-pyrrolidin-1-ylethanol
CID 55212016
(1S)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 9248163
(1R)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 9248165
1-[(4-methylphenyl)methyl]-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 27429093
1-(azepan-1-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 26390006
1-(5-methylthiophen-2-yl)sulfonyl-4-(3-phenylpropyl)piperazine
CID 113074757
N-(3-methylbutan-2-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]acetamide
CID 17458832
N-[4-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-4-oxobutyl]furan-2-carboxamide
CID 24682710
1-(5-methylthiophen-2-yl)sulfonyl-4-[(2,4,6-trimethylphenyl)methyl]piperazine
CID 110399236
5-methyl-3-[[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole
CID 26424144

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(furan-2-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanol?
The IUPAC name of (1R)-1-(furan-2-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanol (CID 34523338) is (1R)-1-(furan-2-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanol.
What is the SMILES notation for (1R)-1-(furan-2-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanol?
The canonical SMILES for (1R)-1-(furan-2-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanol is Cc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)c3ccco3)CC2)s1.
What is the InChIKey of (1R)-1-(furan-2-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanol?
The InChIKey is BCMPBXRXOLWSJZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N2O4S2/c1-12-4-5-15(22-12)23(19,20)17-8-6-16(7-9-17)11-13(18)14-3-2-10-21-14/h2-5,10,13,18H,6-9,11H2,1H3/t13-/m1/s1.
What are the key properties of (1R)-1-(furan-2-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanol?
(1R)-1-(furan-2-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanol has a molecular weight of 356.47 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(furan-2-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanol is sourced from PubChem (CID 34523338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).