2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]propanamide

C14H18N4O3S — CID 110750534

IUPAC2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]propanamide
SMILESCC(C(N)=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1
InChIInChI=1S/C14H18N4O3S/c1-11(14(16)19)17-6-8-18(9-7-17)22(20,21)13-5-3-2-4-12(13)10-15/h2-5,11H,6-9H2,1H3,(H2,16,19)
InChIKeyZIQIFUOTOKGFGA-UHFFFAOYSA-N
MW322.39 g/mol
LogP-0.26
Rot. Bonds4

About 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]propanamide

2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]propanamide (PubChem CID 110750534) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]propanamide.

Molecular Properties

Compound Name2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]propanamide
PubChem CID110750534
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]propanamide
SMILESCC(C(N)=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1
InChIInChI=1S/C14H18N4O3S/c1-11(14(16)19)17-6-8-18(9-7-17)22(20,21)13-5-3-2-4-12(13)10-15/h2-5,11H,6-9H2,1H3,(H2,16,19)
InChIKeyZIQIFUOTOKGFGA-UHFFFAOYSA-N
XLogP-0.26
TPSA107.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]sulfonylbenzonitrile
CID 9286682
2-[4-(1-cyclopropylethyl)piperazin-1-yl]sulfonylbenzonitrile
CID 110708874
(2S)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-prop-2-enylpropanamide
CID 40758746
(2S)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-[(2S)-2-phenylpropyl]propanamide
CID 27253011
2-[4-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]sulfonylbenzonitrile
CID 4839964
(2R)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(2,5-dichlorophenyl)propanamide
CID 2533044
(2R)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 9286693
4-(2-cyanophenyl)sulfonylpiperazine-1-carboxylic acid
CID 175456558
N-tert-butyl-4-(2-cyanophenyl)sulfonylpiperazine-1-carboxamide
CID 110811220
2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylbenzonitrile
CID 103834546
(2R)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropylpropanamide
CID 8559474
2-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbenzonitrile
CID 4846784

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]propanamide?
The IUPAC name of 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]propanamide (CID 110750534) is 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]propanamide.
What is the SMILES notation for 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]propanamide?
The canonical SMILES for 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]propanamide is CC(C(N)=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1.
What is the InChIKey of 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]propanamide?
The InChIKey is ZIQIFUOTOKGFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-11(14(16)19)17-6-8-18(9-7-17)22(20,21)13-5-3-2-4-12(13)10-15/h2-5,11H,6-9H2,1H3,(H2,16,19).
What are the key properties of 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]propanamide?
2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]propanamide has a molecular weight of 322.39 g/mol, XLogP of -0.26, 4 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]propanamide is sourced from PubChem (CID 110750534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).