(2R)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropylpropanamide

C17H23N4O3S+ — CID 8559474

IUPAC(2R)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropylpropanamide
SMILESC[C@H](C(=O)NC1CC1)[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1
InChIInChI=1S/C17H22N4O3S/c1-13(17(22)19-15-6-7-15)20-8-10-21(11-9-20)25(23,24)16-5-3-2-4-14(16)12-18/h2-5,13,15H,6-11H2,1H3,(H,19,22)/p+1/t13-/m1/s1
InChIKeyAYSLBLSCRKAXFV-CYBMUJFWSA-O
MW363.46 g/mol
LogP-0.89
Rot. Bonds5

About (2R)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropylpropanamide

(2R)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropylpropanamide (PubChem CID 8559474) has the molecular formula C17H23N4O3S+ and a molecular weight of 363.46 g/mol. Its IUPAC name is (2R)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name(2R)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropylpropanamide
PubChem CID8559474
Molecular FormulaC17H23N4O3S+
Molecular Weight363.46 g/mol
Exact Mass363.15
IUPAC Name(2R)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropylpropanamide
SMILESC[C@H](C(=O)NC1CC1)[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1
InChIInChI=1S/C17H22N4O3S/c1-13(17(22)19-15-6-7-15)20-8-10-21(11-9-20)25(23,24)16-5-3-2-4-14(16)12-18/h2-5,13,15H,6-11H2,1H3,(H,19,22)/p+1/t13-/m1/s1
InChIKeyAYSLBLSCRKAXFV-CYBMUJFWSA-O
XLogP-0.89
TPSA94.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-cyclopropyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 8553928
(2R)-N-cyclopentyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 8512706
(2S)-N-cyclopentyl-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide
CID 2454173
tert-butyl N-[1-(2-cyanophenyl)sulfonylpiperidin-4-yl]carbamate
CID 55736897
2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 16593788
2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylbenzonitrile
CID 103834546
(2S)-N-cyclopropyl-2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 8710428
N-[(2S)-butan-2-yl]-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 9286849
(2S)-2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropylpropanamide
CID 8710753
2-[4-(1-cyclopropylethyl)piperazin-1-yl]sulfonylbenzonitrile
CID 110708874
(2R)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 9286693
(2R)-N-cyclopropyl-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 8559438

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropylpropanamide?
The IUPAC name of (2R)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropylpropanamide (CID 8559474) is (2R)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for (2R)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropylpropanamide?
The canonical SMILES for (2R)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropylpropanamide is C[C@H](C(=O)NC1CC1)[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1.
What is the InChIKey of (2R)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropylpropanamide?
The InChIKey is AYSLBLSCRKAXFV-CYBMUJFWSA-O. The full InChI is InChI=1S/C17H22N4O3S/c1-13(17(22)19-15-6-7-15)20-8-10-21(11-9-20)25(23,24)16-5-3-2-4-14(16)12-18/h2-5,13,15H,6-11H2,1H3,(H,19,22)/p+1/t13-/m1/s1.
What are the key properties of (2R)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropylpropanamide?
(2R)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropylpropanamide has a molecular weight of 363.46 g/mol, XLogP of -0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropylpropanamide is sourced from PubChem (CID 8559474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).