1-cyclopropyl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine

C15H22N2O4S — CID 110708580

IUPAC1-cyclopropyl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(C3CC3)CC2)c(OC)c1
InChIInChI=1S/C15H22N2O4S/c1-20-13-5-6-15(14(11-13)21-2)22(18,19)17-9-7-16(8-10-17)12-3-4-12/h5-6,11-12H,3-4,7-10H2,1-2H3
InChIKeySXBYVUGFNTYKPR-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.17
Rot. Bonds5

About 1-cyclopropyl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine

1-cyclopropyl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine (PubChem CID 110708580) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-cyclopropyl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-cyclopropyl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine
PubChem CID110708580
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name1-cyclopropyl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(C3CC3)CC2)c(OC)c1
InChIInChI=1S/C15H22N2O4S/c1-20-13-5-6-15(14(11-13)21-2)22(18,19)17-9-7-16(8-10-17)12-3-4-12/h5-6,11-12H,3-4,7-10H2,1-2H3
InChIKeySXBYVUGFNTYKPR-UHFFFAOYSA-N
XLogP1.17
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684107
[1-(2,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605335
3-(4-cyclopropylpiperazin-1-yl)sulfonyl-4-methoxyaniline
CID 61140630
1-butan-2-yl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine
CID 113072995
1-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110817974
1-(2,4-dimethoxyphenyl)sulfonyl-N,N-dimethylpiperidine-4-carboxamide
CID 110350848
4-[2-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]morpholine
CID 113073742
ethyl 4-(2,4-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 91669968
4-(2,4-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 19682685
1-cyclopropyl-4-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperazine
CID 110708600
(4R,5R)-1,3-bis[(2,4-dimethoxyphenyl)sulfonyl]-4,5-dimethoxyimidazolidin-2-one
CID 57401834
N-cyclopentyl-1-(2,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 113003005

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine?
The IUPAC name of 1-cyclopropyl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine (CID 110708580) is 1-cyclopropyl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-cyclopropyl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine?
The canonical SMILES for 1-cyclopropyl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine is COc1ccc(S(=O)(=O)N2CCN(C3CC3)CC2)c(OC)c1.
What is the InChIKey of 1-cyclopropyl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine?
The InChIKey is SXBYVUGFNTYKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-20-13-5-6-15(14(11-13)21-2)22(18,19)17-9-7-16(8-10-17)12-3-4-12/h5-6,11-12H,3-4,7-10H2,1-2H3.
What are the key properties of 1-cyclopropyl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine?
1-cyclopropyl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine has a molecular weight of 326.42 g/mol, XLogP of 1.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine is sourced from PubChem (CID 110708580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).