2-butan-2-ylsulfonyl-1-(2,4-dimethoxyphenyl)-N-methylethanamine

C15H25NO4S — CID 64646885

IUPAC2-butan-2-ylsulfonyl-1-(2,4-dimethoxyphenyl)-N-methylethanamine
SMILESCCC(C)S(=O)(=O)CC(NC)c1ccc(OC)cc1OC
InChIInChI=1S/C15H25NO4S/c1-6-11(2)21(17,18)10-14(16-3)13-8-7-12(19-4)9-15(13)20-5/h7-9,11,14,16H,6,10H2,1-5H3
InChIKeyMISWWRHXGBNNEP-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.18
Rot. Bonds8

About 2-butan-2-ylsulfonyl-1-(2,4-dimethoxyphenyl)-N-methylethanamine

2-butan-2-ylsulfonyl-1-(2,4-dimethoxyphenyl)-N-methylethanamine (PubChem CID 64646885) has the molecular formula C15H25NO4S and a molecular weight of 315.44 g/mol. Its IUPAC name is 2-butan-2-ylsulfonyl-1-(2,4-dimethoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-butan-2-ylsulfonyl-1-(2,4-dimethoxyphenyl)-N-methylethanamine
PubChem CID64646885
Molecular FormulaC15H25NO4S
Molecular Weight315.44 g/mol
Exact Mass315.15
IUPAC Name2-butan-2-ylsulfonyl-1-(2,4-dimethoxyphenyl)-N-methylethanamine
SMILESCCC(C)S(=O)(=O)CC(NC)c1ccc(OC)cc1OC
InChIInChI=1S/C15H25NO4S/c1-6-11(2)21(17,18)10-14(16-3)13-8-7-12(19-4)9-15(13)20-5/h7-9,11,14,16H,6,10H2,1-5H3
InChIKeyMISWWRHXGBNNEP-UHFFFAOYSA-N
XLogP2.18
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethoxyphenyl)-N-methylheptan-1-amine
CID 114752343
1-(2,4-dimethoxyphenyl)-N-ethyl-2-methylsulfonylethanamine
CID 55112186
1-(2,4-dimethoxyphenyl)-N-methyl-2-(2-methylpropylsulfinyl)ethanamine
CID 64651646
N-[1-(2,4-dimethoxyphenyl)-2-ethylsulfonylethyl]propan-1-amine
CID 64644798
1-(2,4-dimethoxyphenyl)-N-methyl-2-pentan-2-yloxyethanamine
CID 102981296
1-(2,4-dimethoxyphenyl)-2-(2-methylbutylsulfonyl)ethanamine
CID 107759657
4-(2,4-dimethoxyphenyl)-4-(methylamino)butan-1-ol
CID 116952940
1-(2,4-dimethoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine
CID 19439911
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
N-[1-(2,4-dimethoxyphenyl)ethyl]propane-1-sulfonamide
CID 47387329
(1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine
CID 93079729
1-(2,4-dimethoxyphenyl)-3-methyl-N-propylbutan-1-amine
CID 43496064

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfonyl-1-(2,4-dimethoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-butan-2-ylsulfonyl-1-(2,4-dimethoxyphenyl)-N-methylethanamine (CID 64646885) is 2-butan-2-ylsulfonyl-1-(2,4-dimethoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-butan-2-ylsulfonyl-1-(2,4-dimethoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-butan-2-ylsulfonyl-1-(2,4-dimethoxyphenyl)-N-methylethanamine is CCC(C)S(=O)(=O)CC(NC)c1ccc(OC)cc1OC.
What is the InChIKey of 2-butan-2-ylsulfonyl-1-(2,4-dimethoxyphenyl)-N-methylethanamine?
The InChIKey is MISWWRHXGBNNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4S/c1-6-11(2)21(17,18)10-14(16-3)13-8-7-12(19-4)9-15(13)20-5/h7-9,11,14,16H,6,10H2,1-5H3.
What are the key properties of 2-butan-2-ylsulfonyl-1-(2,4-dimethoxyphenyl)-N-methylethanamine?
2-butan-2-ylsulfonyl-1-(2,4-dimethoxyphenyl)-N-methylethanamine has a molecular weight of 315.44 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfonyl-1-(2,4-dimethoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 64646885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).