1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidin-4-amine

C14H22N2O4S — CID 119979838

IUPAC1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidin-4-amine
SMILESCNC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C14H22N2O4S/c1-15-11-6-8-16(9-7-11)21(17,18)12-4-5-13(19-2)14(10-12)20-3/h4-5,10-11,15H,6-9H2,1-3H3
InChIKeyBIUBGCSHVQBTTB-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.08
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidin-4-amine

1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidin-4-amine (PubChem CID 119979838) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidin-4-amine
PubChem CID119979838
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidin-4-amine
SMILESCNC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C14H22N2O4S/c1-15-11-6-8-16(9-7-11)21(17,18)12-4-5-13(19-2)14(10-12)20-3/h4-5,10-11,15H,6-9H2,1-3H3
InChIKeyBIUBGCSHVQBTTB-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

2-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride
CID 119979778
methyl 2-methoxy-4-[4-(methylamino)piperidin-1-yl]sulfonylbenzoate
CID 120710099
1-(3,4-dimethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585253
3-amino-N-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-methylbutanamide
CID 120501272
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methylpropyl)piperidine
CID 171593389
1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperazin-4-ium
CID 6952496
N-cyclopentyl-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1326017
1-(3,4-dimethoxyphenyl)sulfonyl-3-methoxypyrrolidine
CID 108781072
(3S)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-3-ol
CID 79031397
1-(3,4-dimethoxyphenyl)sulfonyl-4-(triazol-2-yl)piperidine
CID 121165181
1-(3,4-dimethoxyphenyl)sulfonyl-3-methylsulfonylpyrrolidine
CID 90584724
4-cyclopropylidene-1-(3,4-dimethoxyphenyl)sulfonylpiperidine
CID 121187227

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidin-4-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidin-4-amine (CID 119979838) is 1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidin-4-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidin-4-amine is CNC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidin-4-amine?
The InChIKey is BIUBGCSHVQBTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-15-11-6-8-16(9-7-11)21(17,18)12-4-5-13(19-2)14(10-12)20-3/h4-5,10-11,15H,6-9H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidin-4-amine?
1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidin-4-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-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidin-4-amine is sourced from PubChem (CID 119979838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).