(1-aminocyclopropyl)-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride

C16H24ClN3O5S — CID 119692262

IUPAC(1-aminocyclopropyl)-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C3(N)CC3)CC2)c1.Cl
InChIInChI=1S/C16H23N3O5S.ClH/c1-23-12-3-4-13(24-2)14(11-12)25(21,22)19-9-7-18(8-10-19)15(20)16(17)5-6-16;/h3-4,11H,5-10,17H2,1-2H3;1H
InChIKeyGZIAWJXVFIEQGL-UHFFFAOYSA-N
MW405.90 g/mol
LogP0.45
Rot. Bonds5

About (1-aminocyclopropyl)-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride

(1-aminocyclopropyl)-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride (PubChem CID 119692262) has the molecular formula C16H24ClN3O5S and a molecular weight of 405.90 g/mol. Its IUPAC name is (1-aminocyclopropyl)-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(1-aminocyclopropyl)-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride
PubChem CID119692262
Molecular FormulaC16H24ClN3O5S
Molecular Weight405.90 g/mol
Exact Mass405.11
IUPAC Name(1-aminocyclopropyl)-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C3(N)CC3)CC2)c1.Cl
InChIInChI=1S/C16H23N3O5S.ClH/c1-23-12-3-4-13(24-2)14(11-12)25(21,22)19-9-7-18(8-10-19)15(20)16(17)5-6-16;/h3-4,11H,5-10,17H2,1-2H3;1H
InChIKeyGZIAWJXVFIEQGL-UHFFFAOYSA-N
XLogP0.45
TPSA102.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.90
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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4-(2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboximidamide
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1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-(3-hydroxyphenoxy)ethanone
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CID 709843
1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanylethanone
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[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)methanone
CID 41499008
[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone
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4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]sulfonylaniline
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Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride?
The IUPAC name of (1-aminocyclopropyl)-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride (CID 119692262) is (1-aminocyclopropyl)-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (1-aminocyclopropyl)-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for (1-aminocyclopropyl)-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride is COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C3(N)CC3)CC2)c1.Cl.
What is the InChIKey of (1-aminocyclopropyl)-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride?
The InChIKey is GZIAWJXVFIEQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5S.ClH/c1-23-12-3-4-13(24-2)14(11-12)25(21,22)19-9-7-18(8-10-19)15(20)16(17)5-6-16;/h3-4,11H,5-10,17H2,1-2H3;1H.
What are the key properties of (1-aminocyclopropyl)-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride?
(1-aminocyclopropyl)-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride has a molecular weight of 405.90 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119692262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).