3-[4-(2,5-dimethoxyphenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylpropan-1-amine

C19H33N3O4S — CID 110290553

IUPAC3-[4-(2,5-dimethoxyphenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylpropan-1-amine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CC(C)N(CCCN(C)C)C(C)C2)c1
InChIInChI=1S/C19H33N3O4S/c1-15-13-21(14-16(2)22(15)11-7-10-20(3)4)27(23,24)19-12-17(25-5)8-9-18(19)26-6/h8-9,12,15-16H,7,10-11,13-14H2,1-6H3
InChIKeyQXHWDYZBLYDVPC-UHFFFAOYSA-N
MW399.56 g/mol
LogP1.74
Rot. Bonds8

About 3-[4-(2,5-dimethoxyphenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylpropan-1-amine

3-[4-(2,5-dimethoxyphenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylpropan-1-amine (PubChem CID 110290553) has the molecular formula C19H33N3O4S and a molecular weight of 399.56 g/mol. Its IUPAC name is 3-[4-(2,5-dimethoxyphenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(2,5-dimethoxyphenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylpropan-1-amine
PubChem CID110290553
Molecular FormulaC19H33N3O4S
Molecular Weight399.56 g/mol
Exact Mass399.22
IUPAC Name3-[4-(2,5-dimethoxyphenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylpropan-1-amine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CC(C)N(CCCN(C)C)C(C)C2)c1
InChIInChI=1S/C19H33N3O4S/c1-15-13-21(14-16(2)22(15)11-7-10-20(3)4)27(23,24)19-12-17(25-5)8-9-18(19)26-6/h8-9,12,15-16H,7,10-11,13-14H2,1-6H3
InChIKeyQXHWDYZBLYDVPC-UHFFFAOYSA-N
XLogP1.74
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3S,4R)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 79410107
3-[4-(2-chlorophenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylpropan-1-amine
CID 110290579
1-(2-methoxyethyl)-4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylpiperazine
CID 110290267
4-(3,4-dimethoxyphenyl)sulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine
CID 110602206
4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethyl-1-(2-phenylethyl)piperazine
CID 110658354
4-(2,5-dimethoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
CID 110369131
4-(2,5-dimethoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
CID 110721462
2-[4-(4-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylethanamine
CID 110290412
1-(2,5-dimethoxyphenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62534672
1-[4-[3-(dimethylamino)propyl]-3,5-dimethylpiperazin-1-yl]-3-(4-methoxyphenyl)butan-1-one
CID 110308540
[(2S,4R)-1-(2,5-dimethoxyphenyl)sulfonyl-4-(dimethylamino)pyrrolidin-2-yl]methanol
CID 50960968
[4-(2,5-dimethoxyphenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398431

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,5-dimethoxyphenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[4-(2,5-dimethoxyphenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylpropan-1-amine (CID 110290553) is 3-[4-(2,5-dimethoxyphenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[4-(2,5-dimethoxyphenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[4-(2,5-dimethoxyphenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylpropan-1-amine is COc1ccc(OC)c(S(=O)(=O)N2CC(C)N(CCCN(C)C)C(C)C2)c1.
What is the InChIKey of 3-[4-(2,5-dimethoxyphenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is QXHWDYZBLYDVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O4S/c1-15-13-21(14-16(2)22(15)11-7-10-20(3)4)27(23,24)19-12-17(25-5)8-9-18(19)26-6/h8-9,12,15-16H,7,10-11,13-14H2,1-6H3.
What are the key properties of 3-[4-(2,5-dimethoxyphenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylpropan-1-amine?
3-[4-(2,5-dimethoxyphenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 399.56 g/mol, XLogP of 1.74, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,5-dimethoxyphenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 110290553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).