N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide

C14H21N3O3S — CID 60819644

IUPACN-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCNC1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1
InChIInChI=1S/C14H21N3O3S/c1-11(18)16-13-3-5-14(6-4-13)21(19,20)17-9-7-12(15-2)8-10-17/h3-6,12,15H,7-10H2,1-2H3,(H,16,18)
InChIKeyLLPFHNCGPHFFFP-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.02
Rot. Bonds4

About N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide

N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 60819644) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID60819644
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCNC1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1
InChIInChI=1S/C14H21N3O3S/c1-11(18)16-13-3-5-14(6-4-13)21(19,20)17-9-7-12(15-2)8-10-17/h3-6,12,15H,7-10H2,1-2H3,(H,16,18)
InChIKeyLLPFHNCGPHFFFP-UHFFFAOYSA-N
XLogP1.02
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 119978149
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108559105
N-[4-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide
CID 24612546
N-[4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 119974725
N-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 26947333
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 764494
N-[4-[4-(pyridin-2-ylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 167788841
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3,4,5-trihydroxybenzamide
CID 108560172
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide;hydrate
CID 139066606
N-(4-acetamidophenyl)-1-(4-bromophenyl)sulfonylpiperidine-4-carboxamide
CID 1316590
N-[2-bromo-4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide;hydrochloride
CID 120710147
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979815

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide (CID 60819644) is N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide is CNC1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1.
What is the InChIKey of N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is LLPFHNCGPHFFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-11(18)16-13-3-5-14(6-4-13)21(19,20)17-9-7-12(15-2)8-10-17/h3-6,12,15H,7-10H2,1-2H3,(H,16,18).
What are the key properties of N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 311.41 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 60819644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).