[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium

C19H23N4O4S+ — CID 8921391

IUPAC[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccco1
InChIInChI=1S/C19H22N4O4S/c1-15(17-6-4-12-27-17)21-14-19(24)22-8-10-23(11-9-22)28(25,26)18-7-3-2-5-16(18)13-20/h2-7,12,15,21H,8-11,14H2,1H3/p+1/t15-/m0/s1
InChIKeyPMYAWVIAQRERRN-HNNXBMFYSA-O
MW403.48 g/mol
LogP0.31
Rot. Bonds6

About [2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium

[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium (PubChem CID 8921391) has the molecular formula C19H23N4O4S+ and a molecular weight of 403.48 g/mol. Its IUPAC name is [2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium.

Molecular Properties

Compound Name[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
PubChem CID8921391
Molecular FormulaC19H23N4O4S+
Molecular Weight403.48 g/mol
Exact Mass403.14
IUPAC Name[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccco1
InChIInChI=1S/C19H22N4O4S/c1-15(17-6-4-12-27-17)21-14-19(24)22-8-10-23(11-9-22)28(25,26)18-7-3-2-5-16(18)13-20/h2-7,12,15,21H,8-11,14H2,1H3/p+1/t15-/m0/s1
InChIKeyPMYAWVIAQRERRN-HNNXBMFYSA-O
XLogP0.31
TPSA111.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium with MolForge

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Related Compounds

N-[(2S)-1-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 31202602
N-[(2S)-1-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 9362518
2-[(4-propanoyl-1,4-diazepan-1-yl)sulfonyl]benzonitrile
CID 110796557
2-[4-(2-phenylacetyl)piperazin-1-yl]sulfonylbenzonitrile
CID 4822233
4-(2-cyanophenyl)sulfonylpiperazine-1-carboxylic acid
CID 175456558
N-[4-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-4-oxobutan-2-yl]benzamide
CID 24679878
2-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzonitrile
CID 6215093
ethyl 4-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-4-oxobutanoate
CID 9089473
N-tert-butyl-4-(2-cyanophenyl)sulfonylpiperazine-1-carboxamide
CID 110811220
4-(2-cyanophenyl)sulfonyl-N-propylpiperazine-1-carboxamide
CID 110811219
2-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile
CID 34665578
2-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]sulfonylbenzonitrile
CID 7942120

Frequently Asked Questions

What is the IUPAC name of [2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium?
The IUPAC name of [2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium (CID 8921391) is [2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium.
What is the SMILES notation for [2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium?
The canonical SMILES for [2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium is C[C@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccco1.
What is the InChIKey of [2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium?
The InChIKey is PMYAWVIAQRERRN-HNNXBMFYSA-O. The full InChI is InChI=1S/C19H22N4O4S/c1-15(17-6-4-12-27-17)21-14-19(24)22-8-10-23(11-9-22)28(25,26)18-7-3-2-5-16(18)13-20/h2-7,12,15,21H,8-11,14H2,1H3/p+1/t15-/m0/s1.
What are the key properties of [2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium?
[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium has a molecular weight of 403.48 g/mol, XLogP of 0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium is sourced from PubChem (CID 8921391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).