2-[4-[(3-methylphenyl)sulfonyl-propan-2-ylamino]piperidin-1-yl]acetamide

C17H27N3O3S — CID 59161896

IUPAC2-[4-[(3-methylphenyl)sulfonyl-propan-2-ylamino]piperidin-1-yl]acetamide
SMILESCc1cccc(S(=O)(=O)N(C(C)C)C2CCN(CC(N)=O)CC2)c1
InChIInChI=1S/C17H27N3O3S/c1-13(2)20(15-7-9-19(10-8-15)12-17(18)21)24(22,23)16-6-4-5-14(3)11-16/h4-6,11,13,15H,7-10,12H2,1-3H3,(H2,18,21)
InChIKeyYDGBFPUBWRBXFG-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.34
Rot. Bonds6

About 2-[4-[(3-methylphenyl)sulfonyl-propan-2-ylamino]piperidin-1-yl]acetamide

2-[4-[(3-methylphenyl)sulfonyl-propan-2-ylamino]piperidin-1-yl]acetamide (PubChem CID 59161896) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 2-[4-[(3-methylphenyl)sulfonyl-propan-2-ylamino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(3-methylphenyl)sulfonyl-propan-2-ylamino]piperidin-1-yl]acetamide
PubChem CID59161896
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name2-[4-[(3-methylphenyl)sulfonyl-propan-2-ylamino]piperidin-1-yl]acetamide
SMILESCc1cccc(S(=O)(=O)N(C(C)C)C2CCN(CC(N)=O)CC2)c1
InChIInChI=1S/C17H27N3O3S/c1-13(2)20(15-7-9-19(10-8-15)12-17(18)21)24(22,23)16-6-4-5-14(3)11-16/h4-6,11,13,15H,7-10,12H2,1-3H3,(H2,18,21)
InChIKeyYDGBFPUBWRBXFG-UHFFFAOYSA-N
XLogP1.34
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methylphenyl)sulfonyl-propan-2-ylamino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[(3-methylphenyl)sulfonyl-propan-2-ylamino]piperidin-1-yl]acetamide (CID 59161896) is 2-[4-[(3-methylphenyl)sulfonyl-propan-2-ylamino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(3-methylphenyl)sulfonyl-propan-2-ylamino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(3-methylphenyl)sulfonyl-propan-2-ylamino]piperidin-1-yl]acetamide is Cc1cccc(S(=O)(=O)N(C(C)C)C2CCN(CC(N)=O)CC2)c1.
What is the InChIKey of 2-[4-[(3-methylphenyl)sulfonyl-propan-2-ylamino]piperidin-1-yl]acetamide?
The InChIKey is YDGBFPUBWRBXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-13(2)20(15-7-9-19(10-8-15)12-17(18)21)24(22,23)16-6-4-5-14(3)11-16/h4-6,11,13,15H,7-10,12H2,1-3H3,(H2,18,21).
What are the key properties of 2-[4-[(3-methylphenyl)sulfonyl-propan-2-ylamino]piperidin-1-yl]acetamide?
2-[4-[(3-methylphenyl)sulfonyl-propan-2-ylamino]piperidin-1-yl]acetamide has a molecular weight of 353.49 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methylphenyl)sulfonyl-propan-2-ylamino]piperidin-1-yl]acetamide is sourced from PubChem (CID 59161896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).