5-amino-2-(3-methoxypiperidin-1-yl)benzenesulfonamide

C12H19N3O3S — CID 102955753

IUPAC5-amino-2-(3-methoxypiperidin-1-yl)benzenesulfonamide
SMILESCOC1CCCN(c2ccc(N)cc2S(N)(=O)=O)C1
InChIInChI=1S/C12H19N3O3S/c1-18-10-3-2-6-15(8-10)11-5-4-9(13)7-12(11)19(14,16)17/h4-5,7,10H,2-3,6,8,13H2,1H3,(H2,14,16,17)
InChIKeyXSBUPMLTCKFFDC-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.53
Rot. Bonds3

About 5-amino-2-(3-methoxypiperidin-1-yl)benzenesulfonamide

5-amino-2-(3-methoxypiperidin-1-yl)benzenesulfonamide (PubChem CID 102955753) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 5-amino-2-(3-methoxypiperidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-(3-methoxypiperidin-1-yl)benzenesulfonamide
PubChem CID102955753
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name5-amino-2-(3-methoxypiperidin-1-yl)benzenesulfonamide
SMILESCOC1CCCN(c2ccc(N)cc2S(N)(=O)=O)C1
InChIInChI=1S/C12H19N3O3S/c1-18-10-3-2-6-15(8-10)11-5-4-9(13)7-12(11)19(14,16)17/h4-5,7,10H,2-3,6,8,13H2,1H3,(H2,14,16,17)
InChIKeyXSBUPMLTCKFFDC-UHFFFAOYSA-N
XLogP0.53
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-4-(3-methoxypyrrolidin-1-yl)aniline
CID 103530518
5-amino-3-(3-ethoxypiperidin-1-yl)-2-methylbenzenesulfonamide
CID 79900397
4-amino-3-(3-methoxypiperidin-1-yl)-N-methylbenzenesulfonamide
CID 102955794
4-amino-N-ethyl-2-(3-methoxypiperidin-1-yl)benzamide
CID 102955746
2-[(3R)-3-methoxypiperidin-1-yl]pyridin-4-amine
CID 129413992
2-(3-methoxypiperidin-1-yl)-5-(trifluoromethyl)aniline
CID 102955751
6-[(3S)-3-methoxypiperidin-1-yl]pyridin-3-amine
CID 129395792
5-amino-2-methyl-3-(3-methylpiperidin-1-yl)benzenesulfonamide
CID 79897251
3-(3-methoxypiperidin-1-yl)sulfonyl-1H-indol-6-amine
CID 102955337
2-amino-3-(3-propoxypiperidin-1-yl)benzenesulfonamide
CID 115992523
[3-fluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanamine
CID 102955941
2-[4-(3-methoxypiperidin-1-yl)-3-(trifluoromethyl)phenyl]ethanamine
CID 102968834

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-methoxypiperidin-1-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2-(3-methoxypiperidin-1-yl)benzenesulfonamide (CID 102955753) is 5-amino-2-(3-methoxypiperidin-1-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-(3-methoxypiperidin-1-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-(3-methoxypiperidin-1-yl)benzenesulfonamide is COC1CCCN(c2ccc(N)cc2S(N)(=O)=O)C1.
What is the InChIKey of 5-amino-2-(3-methoxypiperidin-1-yl)benzenesulfonamide?
The InChIKey is XSBUPMLTCKFFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-18-10-3-2-6-15(8-10)11-5-4-9(13)7-12(11)19(14,16)17/h4-5,7,10H,2-3,6,8,13H2,1H3,(H2,14,16,17).
What are the key properties of 5-amino-2-(3-methoxypiperidin-1-yl)benzenesulfonamide?
5-amino-2-(3-methoxypiperidin-1-yl)benzenesulfonamide has a molecular weight of 285.37 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-methoxypiperidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 102955753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).