1-(2,5-dimethoxyphenyl)sulfonyl-N-methylpiperidin-3-amine

C14H22N2O4S — CID 62534672

IUPAC1-(2,5-dimethoxyphenyl)sulfonyl-N-methylpiperidin-3-amine
SMILESCNC1CCCN(S(=O)(=O)c2cc(OC)ccc2OC)C1
InChIInChI=1S/C14H22N2O4S/c1-15-11-5-4-8-16(10-11)21(17,18)14-9-12(19-2)6-7-13(14)20-3/h6-7,9,11,15H,4-5,8,10H2,1-3H3
InChIKeyUOQYNVUOIMBINO-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.08
Rot. Bonds5

About 1-(2,5-dimethoxyphenyl)sulfonyl-N-methylpiperidin-3-amine

1-(2,5-dimethoxyphenyl)sulfonyl-N-methylpiperidin-3-amine (PubChem CID 62534672) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonyl-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonyl-N-methylpiperidin-3-amine
PubChem CID62534672
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonyl-N-methylpiperidin-3-amine
SMILESCNC1CCCN(S(=O)(=O)c2cc(OC)ccc2OC)C1
InChIInChI=1S/C14H22N2O4S/c1-15-11-5-4-8-16(10-11)21(17,18)14-9-12(19-2)6-7-13(14)20-3/h6-7,9,11,15H,4-5,8,10H2,1-3H3
InChIKeyUOQYNVUOIMBINO-UHFFFAOYSA-N
XLogP1.08
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-bromo-4-methoxyphenyl)sulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120715241
1-(2,5-dimethoxyphenyl)sulfonyl-3-(phenoxymethyl)piperidine
CID 110410424
1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-methoxyphenyl)azepane
CID 121147234
(3S)-1-(2,5-dimethoxyphenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 7453392
3-methoxy-4-[3-(methylamino)piperidin-1-yl]sulfonylbenzonitrile
CID 120875940
(3S,4R)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 79410107
4-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine
CID 122261639
1-(2,5-dimethoxyphenyl)sulfonyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 43872906
N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 43872907
1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 45178348
N-cyclopropyl-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1093344
(3S)-1-(2,5-dimethoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861869

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-N-methylpiperidin-3-amine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-N-methylpiperidin-3-amine (CID 62534672) is 1-(2,5-dimethoxyphenyl)sulfonyl-N-methylpiperidin-3-amine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonyl-N-methylpiperidin-3-amine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonyl-N-methylpiperidin-3-amine is CNC1CCCN(S(=O)(=O)c2cc(OC)ccc2OC)C1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonyl-N-methylpiperidin-3-amine?
The InChIKey is UOQYNVUOIMBINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-15-11-5-4-8-16(10-11)21(17,18)14-9-12(19-2)6-7-13(14)20-3/h6-7,9,11,15H,4-5,8,10H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonyl-N-methylpiperidin-3-amine?
1-(2,5-dimethoxyphenyl)sulfonyl-N-methylpiperidin-3-amine has a molecular weight of 314.41 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)sulfonyl-N-methylpiperidin-3-amine is sourced from PubChem (CID 62534672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).