2-[(4-methylphenyl)sulfonyl-piperidin-3-ylamino]acetamide

C14H21N3O3S — CID 60800520

IUPAC2-[(4-methylphenyl)sulfonyl-piperidin-3-ylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(N)=O)C2CCCNC2)cc1
InChIInChI=1S/C14H21N3O3S/c1-11-4-6-13(7-5-11)21(19,20)17(10-14(15)18)12-3-2-8-16-9-12/h4-7,12,16H,2-3,8-10H2,1H3,(H2,15,18)
InChIKeyCVRPHJDKJQNWBK-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.22
Rot. Bonds5

About 2-[(4-methylphenyl)sulfonyl-piperidin-3-ylamino]acetamide

2-[(4-methylphenyl)sulfonyl-piperidin-3-ylamino]acetamide (PubChem CID 60800520) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-[(4-methylphenyl)sulfonyl-piperidin-3-ylamino]acetamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)sulfonyl-piperidin-3-ylamino]acetamide
PubChem CID60800520
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name2-[(4-methylphenyl)sulfonyl-piperidin-3-ylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(N)=O)C2CCCNC2)cc1
InChIInChI=1S/C14H21N3O3S/c1-11-4-6-13(7-5-11)21(19,20)17(10-14(15)18)12-3-2-8-16-9-12/h4-7,12,16H,2-3,8-10H2,1H3,(H2,15,18)
InChIKeyCVRPHJDKJQNWBK-UHFFFAOYSA-N
XLogP0.22
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-piperidin-3-yl-N-propylbenzenesulfonamide
CID 60806542
2-[(4-fluorophenyl)sulfonyl-pyrrolidin-3-ylamino]acetamide
CID 60806186
2-[(2-methylpyrazol-3-yl)sulfonyl-piperidin-3-ylamino]acetamide
CID 104709486
2-[cycloheptyl-(4-methylphenyl)sulfonylamino]acetate
CID 2095447
ethyl N-[(2-amino-2-oxoethyl)-piperidin-3-ylsulfamoyl]carbamate
CID 114461853
ethyl 2-[cyclopropyl-(4-methylphenyl)sulfonylamino]acetate
CID 61384357
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide
CID 1167474
2-[azepan-1-ylsulfonyl(piperidin-3-yl)amino]acetamide
CID 60801221
N-ethyl-3,4-dimethyl-N-piperidin-3-ylbenzenesulfonamide
CID 60807373
N-(azepan-4-yl)-N,4-dimethylbenzenesulfonamide
CID 107173095
N-(2-amino-2-oxoethyl)-2,5-dimethyl-N-piperidin-3-ylbenzamide
CID 60800165
4-methylbenzenesulfonic acid;(3R)-piperidine-3-carboxamide
CID 172751245

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)sulfonyl-piperidin-3-ylamino]acetamide?
The IUPAC name of 2-[(4-methylphenyl)sulfonyl-piperidin-3-ylamino]acetamide (CID 60800520) is 2-[(4-methylphenyl)sulfonyl-piperidin-3-ylamino]acetamide.
What is the SMILES notation for 2-[(4-methylphenyl)sulfonyl-piperidin-3-ylamino]acetamide?
The canonical SMILES for 2-[(4-methylphenyl)sulfonyl-piperidin-3-ylamino]acetamide is Cc1ccc(S(=O)(=O)N(CC(N)=O)C2CCCNC2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)sulfonyl-piperidin-3-ylamino]acetamide?
The InChIKey is CVRPHJDKJQNWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-11-4-6-13(7-5-11)21(19,20)17(10-14(15)18)12-3-2-8-16-9-12/h4-7,12,16H,2-3,8-10H2,1H3,(H2,15,18).
What are the key properties of 2-[(4-methylphenyl)sulfonyl-piperidin-3-ylamino]acetamide?
2-[(4-methylphenyl)sulfonyl-piperidin-3-ylamino]acetamide has a molecular weight of 311.41 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)sulfonyl-piperidin-3-ylamino]acetamide is sourced from PubChem (CID 60800520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).