5-(4-amino-3-methylpiperidin-1-yl)sulfonyl-2-methoxybenzamide

C14H21N3O4S — CID 119983942

IUPAC5-(4-amino-3-methylpiperidin-1-yl)sulfonyl-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(N)C(C)C2)cc1C(N)=O
InChIInChI=1S/C14H21N3O4S/c1-9-8-17(6-5-12(9)15)22(19,20)10-3-4-13(21-2)11(7-10)14(16)18/h3-4,7,9,12H,5-6,8,15H2,1-2H3,(H2,16,18)
InChIKeyASYHYCQOMDURBN-UHFFFAOYSA-N
MW327.41 g/mol
LogP0.15
Rot. Bonds4

About 5-(4-amino-3-methylpiperidin-1-yl)sulfonyl-2-methoxybenzamide

5-(4-amino-3-methylpiperidin-1-yl)sulfonyl-2-methoxybenzamide (PubChem CID 119983942) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is 5-(4-amino-3-methylpiperidin-1-yl)sulfonyl-2-methoxybenzamide.

Molecular Properties

Compound Name5-(4-amino-3-methylpiperidin-1-yl)sulfonyl-2-methoxybenzamide
PubChem CID119983942
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Name5-(4-amino-3-methylpiperidin-1-yl)sulfonyl-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(N)C(C)C2)cc1C(N)=O
InChIInChI=1S/C14H21N3O4S/c1-9-8-17(6-5-12(9)15)22(19,20)10-3-4-13(21-2)11(7-10)14(16)18/h3-4,7,9,12H,5-6,8,15H2,1-2H3,(H2,16,18)
InChIKeyASYHYCQOMDURBN-UHFFFAOYSA-N
XLogP0.15
TPSA115.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-2-methoxybenzamide;hydrochloride
CID 119989115
2-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride
CID 119979778
2-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetic acid
CID 146024578
2-methoxy-5-(4-methylsulfonylpiperazin-1-yl)sulfonylbenzamide
CID 171134280
1-(3,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
CID 119984112
2-methoxy-5-(4-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide
CID 146024506
2-methoxy-5-(3-methoxypyrrolidin-1-yl)sulfonylbenzoic acid
CID 103531339
methyl 1-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxylate
CID 146024645
1-(3,4-dimethoxyphenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63031833
1-(3,4-difluorophenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79868603
5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]sulfonyl-2-methoxybenzamide
CID 146024604
(3S)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-3-ol
CID 79031397

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-3-methylpiperidin-1-yl)sulfonyl-2-methoxybenzamide?
The IUPAC name of 5-(4-amino-3-methylpiperidin-1-yl)sulfonyl-2-methoxybenzamide (CID 119983942) is 5-(4-amino-3-methylpiperidin-1-yl)sulfonyl-2-methoxybenzamide.
What is the SMILES notation for 5-(4-amino-3-methylpiperidin-1-yl)sulfonyl-2-methoxybenzamide?
The canonical SMILES for 5-(4-amino-3-methylpiperidin-1-yl)sulfonyl-2-methoxybenzamide is COc1ccc(S(=O)(=O)N2CCC(N)C(C)C2)cc1C(N)=O.
What is the InChIKey of 5-(4-amino-3-methylpiperidin-1-yl)sulfonyl-2-methoxybenzamide?
The InChIKey is ASYHYCQOMDURBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-9-8-17(6-5-12(9)15)22(19,20)10-3-4-13(21-2)11(7-10)14(16)18/h3-4,7,9,12H,5-6,8,15H2,1-2H3,(H2,16,18).
What are the key properties of 5-(4-amino-3-methylpiperidin-1-yl)sulfonyl-2-methoxybenzamide?
5-(4-amino-3-methylpiperidin-1-yl)sulfonyl-2-methoxybenzamide has a molecular weight of 327.41 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-3-methylpiperidin-1-yl)sulfonyl-2-methoxybenzamide is sourced from PubChem (CID 119983942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).