N-[2-[1-(3-cyanophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide

C16H21N3O3S — CID 70735489

IUPACN-[2-[1-(3-cyanophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide
SMILESCC(=O)NCCC1CCCCN1S(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C16H21N3O3S/c1-13(20)18-9-8-15-6-2-3-10-19(15)23(21,22)16-7-4-5-14(11-16)12-17/h4-5,7,11,15H,2-3,6,8-10H2,1H3,(H,18,20)
InChIKeyDUMKTVUJADLLPY-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.63
Rot. Bonds5

About N-[2-[1-(3-cyanophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide

N-[2-[1-(3-cyanophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide (PubChem CID 70735489) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[2-[1-(3-cyanophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-(3-cyanophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide
PubChem CID70735489
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC NameN-[2-[1-(3-cyanophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide
SMILESCC(=O)NCCC1CCCCN1S(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C16H21N3O3S/c1-13(20)18-9-8-15-6-2-3-10-19(15)23(21,22)16-7-4-5-14(11-16)12-17/h4-5,7,11,15H,2-3,6,8-10H2,1H3,(H,18,20)
InChIKeyDUMKTVUJADLLPY-UHFFFAOYSA-N
XLogP1.63
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3-cyanophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[1-(3-cyanophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide (CID 70735489) is N-[2-[1-(3-cyanophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[1-(3-cyanophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[1-(3-cyanophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide is CC(=O)NCCC1CCCCN1S(=O)(=O)c1cccc(C#N)c1.
What is the InChIKey of N-[2-[1-(3-cyanophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide?
The InChIKey is DUMKTVUJADLLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-13(20)18-9-8-15-6-2-3-10-19(15)23(21,22)16-7-4-5-14(11-16)12-17/h4-5,7,11,15H,2-3,6,8-10H2,1H3,(H,18,20).
What are the key properties of N-[2-[1-(3-cyanophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide?
N-[2-[1-(3-cyanophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide has a molecular weight of 335.43 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3-cyanophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide is sourced from PubChem (CID 70735489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).