2-cyano-N-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide

C15H19N3O3S — CID 168523033

IUPAC2-cyano-N-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
SMILESCC1CCN(S(=O)(=O)c2cccc(NC(=O)CC#N)c2)CC1
InChIInChI=1S/C15H19N3O3S/c1-12-6-9-18(10-7-12)22(20,21)14-4-2-3-13(11-14)17-15(19)5-8-16/h2-4,11-12H,5-7,9-10H2,1H3,(H,17,19)
InChIKeyNOCOHPXUWSFALU-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.96
Rot. Bonds4

About 2-cyano-N-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide

2-cyano-N-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide (PubChem CID 168523033) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-cyano-N-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
PubChem CID168523033
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name2-cyano-N-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
SMILESCC1CCN(S(=O)(=O)c2cccc(NC(=O)CC#N)c2)CC1
InChIInChI=1S/C15H19N3O3S/c1-12-6-9-18(10-7-12)22(20,21)14-4-2-3-13(11-14)17-15(19)5-8-16/h2-4,11-12H,5-7,9-10H2,1H3,(H,17,19)
InChIKeyNOCOHPXUWSFALU-UHFFFAOYSA-N
XLogP1.96
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 168522127
2-cyano-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 168523258
N-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]formamide
CID 168652488
potassium;3-[(2-cyanoacetyl)amino]benzenesulfonic acid;hydride
CID 173377668
2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8903505
2-[(3R)-3-methylpiperidin-1-ium-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8903503
2-cyano-N-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 168521227
N,N'-bis[4-(4-methylpiperidin-1-yl)sulfonylphenyl]hexanediamide
CID 5172520
2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 60651214
4-methyl-1-(3-methylsulfonylphenyl)sulfonylpiperidine
CID 47154568
2-(cyclopropylmethylamino)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
CID 119672230
2-(cyclooctylamino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9265434

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of 2-cyano-N-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide (CID 168523033) is 2-cyano-N-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for 2-cyano-N-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide is CC1CCN(S(=O)(=O)c2cccc(NC(=O)CC#N)c2)CC1.
What is the InChIKey of 2-cyano-N-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
The InChIKey is NOCOHPXUWSFALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-12-6-9-18(10-7-12)22(20,21)14-4-2-3-13(11-14)17-15(19)5-8-16/h2-4,11-12H,5-7,9-10H2,1H3,(H,17,19).
What are the key properties of 2-cyano-N-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
2-cyano-N-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide has a molecular weight of 321.40 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 168523033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).