4-(2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboximidamide

C13H20N4O4S — CID 2758390

IUPAC4-(2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1
InChIInChI=1S/C13H20N4O4S/c1-20-10-3-4-11(21-2)12(9-10)22(18,19)17-7-5-16(6-8-17)13(14)15/h3-4,9H,5-8H2,1-2H3,(H3,14,15)
InChIKeyLNRCEMICWJRIDP-UHFFFAOYSA-N
MW328.39 g/mol
LogP-0.10
Rot. Bonds4

About 4-(2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboximidamide

4-(2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboximidamide (PubChem CID 2758390) has the molecular formula C13H20N4O4S and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboximidamide
PubChem CID2758390
Molecular FormulaC13H20N4O4S
Molecular Weight328.39 g/mol
Exact Mass328.12
IUPAC Name4-(2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1
InChIInChI=1S/C13H20N4O4S/c1-20-10-3-4-11(21-2)12(9-10)22(18,19)17-7-5-16(6-8-17)13(14)15/h3-4,9H,5-8H2,1-2H3,(H3,14,15)
InChIKeyLNRCEMICWJRIDP-UHFFFAOYSA-N
XLogP-0.10
TPSA108.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(1-aminocyclopropyl)-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride
CID 119692262
1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 709843
4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]sulfonylaniline
CID 2052121
2-amino-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-methoxypropan-1-one;hydrochloride
CID 120983970
ethyl 4-(2,4-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 91669968
1-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-4-ethylpiperazine-2,3-dione
CID 55702620
[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)methanone
CID 41499008
4-(2,5-dimethoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
CID 110721462
2,3-dihydro-1-benzofuran-5-yl-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 39634509
1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3853607
(3S,4R)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 79410107
1-(1-adamantyl)-4-(2,5-dimethoxyphenyl)sulfonylpiperazine
CID 3239959

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboximidamide?
The IUPAC name of 4-(2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboximidamide (CID 2758390) is 4-(2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboximidamide.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboximidamide?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboximidamide is [H]/N=C(\N)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboximidamide?
The InChIKey is LNRCEMICWJRIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4S/c1-20-10-3-4-11(21-2)12(9-10)22(18,19)17-7-5-16(6-8-17)13(14)15/h3-4,9H,5-8H2,1-2H3,(H3,14,15).
What are the key properties of 4-(2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboximidamide?
4-(2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboximidamide has a molecular weight of 328.39 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboximidamide is sourced from PubChem (CID 2758390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).