N-[3-(3-aminopiperidin-1-yl)sulfonyl-4-methylphenyl]acetamide

C14H21N3O3S — CID 60777997

IUPACN-[3-(3-aminopiperidin-1-yl)sulfonyl-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCC(N)C2)c1
InChIInChI=1S/C14H21N3O3S/c1-10-5-6-13(16-11(2)18)8-14(10)21(19,20)17-7-3-4-12(15)9-17/h5-6,8,12H,3-4,7,9,15H2,1-2H3,(H,16,18)
InChIKeyRIPORTSIMTZNKE-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.07
Rot. Bonds3

About N-[3-(3-aminopiperidin-1-yl)sulfonyl-4-methylphenyl]acetamide

N-[3-(3-aminopiperidin-1-yl)sulfonyl-4-methylphenyl]acetamide (PubChem CID 60777997) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[3-(3-aminopiperidin-1-yl)sulfonyl-4-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-(3-aminopiperidin-1-yl)sulfonyl-4-methylphenyl]acetamide
PubChem CID60777997
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-[3-(3-aminopiperidin-1-yl)sulfonyl-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCC(N)C2)c1
InChIInChI=1S/C14H21N3O3S/c1-10-5-6-13(16-11(2)18)8-14(10)21(19,20)17-7-3-4-12(15)9-17/h5-6,8,12H,3-4,7,9,15H2,1-2H3,(H,16,18)
InChIKeyRIPORTSIMTZNKE-UHFFFAOYSA-N
XLogP1.07
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methyl-3-[3-(methylamino)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 115300406
N-(4-acetamidophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 133254979
5-(3-aminopiperidin-1-yl)sulfonyl-2,4-dimethylbenzoic acid
CID 61404039
N-(3,4-dimethylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 133254940
1-(2,4-dimethylphenyl)sulfonylpiperidin-3-amine
CID 43120028
1-methyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 50875261
N-[4-methyl-3-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 31812779
(3R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-amine
CID 93274616
N-[5-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-2-methylphenyl]acetamide
CID 119962620
(3S)-1-(5-bromo-2-methylphenyl)sulfonylpyrrolidin-3-amine
CID 94340271
(3S)-1-(benzenesulfonyl)-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]piperidine-3-carboxamide
CID 100662005
1-(4-bromo-2-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120705990

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminopiperidin-1-yl)sulfonyl-4-methylphenyl]acetamide?
The IUPAC name of N-[3-(3-aminopiperidin-1-yl)sulfonyl-4-methylphenyl]acetamide (CID 60777997) is N-[3-(3-aminopiperidin-1-yl)sulfonyl-4-methylphenyl]acetamide.
What is the SMILES notation for N-[3-(3-aminopiperidin-1-yl)sulfonyl-4-methylphenyl]acetamide?
The canonical SMILES for N-[3-(3-aminopiperidin-1-yl)sulfonyl-4-methylphenyl]acetamide is CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCC(N)C2)c1.
What is the InChIKey of N-[3-(3-aminopiperidin-1-yl)sulfonyl-4-methylphenyl]acetamide?
The InChIKey is RIPORTSIMTZNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-10-5-6-13(16-11(2)18)8-14(10)21(19,20)17-7-3-4-12(15)9-17/h5-6,8,12H,3-4,7,9,15H2,1-2H3,(H,16,18).
What are the key properties of N-[3-(3-aminopiperidin-1-yl)sulfonyl-4-methylphenyl]acetamide?
N-[3-(3-aminopiperidin-1-yl)sulfonyl-4-methylphenyl]acetamide has a molecular weight of 311.41 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminopiperidin-1-yl)sulfonyl-4-methylphenyl]acetamide is sourced from PubChem (CID 60777997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).