(2R)-N-cyclopropyl-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

C18H28N3O5S+ — CID 8804115

IUPAC(2R)-N-cyclopropyl-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)c1
InChIInChI=1S/C18H27N3O5S/c1-13(18(22)19-14-4-5-14)20-8-10-21(11-9-20)27(23,24)17-12-15(25-2)6-7-16(17)26-3/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,19,22)/p+1/t13-/m1/s1
InChIKeyGUSYJJDVYDGHFD-CYBMUJFWSA-O
MW398.51 g/mol
LogP-0.74
Rot. Bonds7

About (2R)-N-cyclopropyl-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

(2R)-N-cyclopropyl-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide (PubChem CID 8804115) has the molecular formula C18H28N3O5S+ and a molecular weight of 398.51 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
PubChem CID8804115
Molecular FormulaC18H28N3O5S+
Molecular Weight398.51 g/mol
Exact Mass398.17
IUPAC Name(2R)-N-cyclopropyl-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)c1
InChIInChI=1S/C18H27N3O5S/c1-13(18(22)19-14-4-5-14)20-8-10-21(11-9-20)27(23,24)17-12-15(25-2)6-7-16(17)26-3/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,19,22)/p+1/t13-/m1/s1
InChIKeyGUSYJJDVYDGHFD-CYBMUJFWSA-O
XLogP-0.74
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-N-cyclopropyl-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1093344
2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)acetamide
CID 8804057
1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 709843
(2S)-N-cyclopropyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 8553928
(3S,4R)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 79410107
N-cyclopentyl-1-(2,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 113003005
1-(2,5-dimethoxyphenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62534672
(2R)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropylpropanamide
CID 8559474
1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 119692279
(2S)-N-cyclopropyl-2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 8710428
(2R)-N-cyclopropyl-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 8559438
N-(2,5-dichlorophenyl)-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 126326321

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide?
The IUPAC name of (2R)-N-cyclopropyl-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide (CID 8804115) is (2R)-N-cyclopropyl-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide is COc1ccc(OC)c(S(=O)(=O)N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)c1.
What is the InChIKey of (2R)-N-cyclopropyl-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide?
The InChIKey is GUSYJJDVYDGHFD-CYBMUJFWSA-O. The full InChI is InChI=1S/C18H27N3O5S/c1-13(18(22)19-14-4-5-14)20-8-10-21(11-9-20)27(23,24)17-12-15(25-2)6-7-16(17)26-3/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,19,22)/p+1/t13-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide?
(2R)-N-cyclopropyl-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide has a molecular weight of 398.51 g/mol, XLogP of -0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide is sourced from PubChem (CID 8804115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).