N-[5-(3-methylpiperidin-1-yl)sulfonyl-2-methylsulfanylphenyl]acetamide

C15H22N2O3S2 — CID 133161258

IUPACN-[5-(3-methylpiperidin-1-yl)sulfonyl-2-methylsulfanylphenyl]acetamide
SMILESCSc1ccc(S(=O)(=O)N2CCCC(C)C2)cc1NC(C)=O
InChIInChI=1S/C15H22N2O3S2/c1-11-5-4-8-17(10-11)22(19,20)13-6-7-15(21-3)14(9-13)16-12(2)18/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,16,18)
InChIKeyZAQMVQUMBJLEBF-UHFFFAOYSA-N
MW342.49 g/mol
LogP2.79
Rot. Bonds4

About N-[5-(3-methylpiperidin-1-yl)sulfonyl-2-methylsulfanylphenyl]acetamide

N-[5-(3-methylpiperidin-1-yl)sulfonyl-2-methylsulfanylphenyl]acetamide (PubChem CID 133161258) has the molecular formula C15H22N2O3S2 and a molecular weight of 342.49 g/mol. Its IUPAC name is N-[5-(3-methylpiperidin-1-yl)sulfonyl-2-methylsulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[5-(3-methylpiperidin-1-yl)sulfonyl-2-methylsulfanylphenyl]acetamide
PubChem CID133161258
Molecular FormulaC15H22N2O3S2
Molecular Weight342.49 g/mol
Exact Mass342.11
IUPAC NameN-[5-(3-methylpiperidin-1-yl)sulfonyl-2-methylsulfanylphenyl]acetamide
SMILESCSc1ccc(S(=O)(=O)N2CCCC(C)C2)cc1NC(C)=O
InChIInChI=1S/C15H22N2O3S2/c1-11-5-4-8-17(10-11)22(19,20)13-6-7-15(21-3)14(9-13)16-12(2)18/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,16,18)
InChIKeyZAQMVQUMBJLEBF-UHFFFAOYSA-N
XLogP2.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584
N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743581
4-(3-methylpiperidin-1-yl)sulfonyl-N-(4-methylsulfanylphenyl)benzamide
CID 16811498
4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoic acid
CID 1132674
4-(3-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 2770974
N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methylsulfanylphenyl]acetamide
CID 100710035
1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonylazepane
CID 3184670
4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzoate
CID 6969777
(3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine
CID 668967
N-[5-[(2-methoxy-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100651378
trans-(1S,2S)-2-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]cyclopropane-1-carboxamide
CID 99860038
2-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]cyclopropane-1-carboxamide
CID 17218057

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-methylpiperidin-1-yl)sulfonyl-2-methylsulfanylphenyl]acetamide?
The IUPAC name of N-[5-(3-methylpiperidin-1-yl)sulfonyl-2-methylsulfanylphenyl]acetamide (CID 133161258) is N-[5-(3-methylpiperidin-1-yl)sulfonyl-2-methylsulfanylphenyl]acetamide.
What is the SMILES notation for N-[5-(3-methylpiperidin-1-yl)sulfonyl-2-methylsulfanylphenyl]acetamide?
The canonical SMILES for N-[5-(3-methylpiperidin-1-yl)sulfonyl-2-methylsulfanylphenyl]acetamide is CSc1ccc(S(=O)(=O)N2CCCC(C)C2)cc1NC(C)=O.
What is the InChIKey of N-[5-(3-methylpiperidin-1-yl)sulfonyl-2-methylsulfanylphenyl]acetamide?
The InChIKey is ZAQMVQUMBJLEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S2/c1-11-5-4-8-17(10-11)22(19,20)13-6-7-15(21-3)14(9-13)16-12(2)18/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,16,18).
What are the key properties of N-[5-(3-methylpiperidin-1-yl)sulfonyl-2-methylsulfanylphenyl]acetamide?
N-[5-(3-methylpiperidin-1-yl)sulfonyl-2-methylsulfanylphenyl]acetamide has a molecular weight of 342.49 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-methylpiperidin-1-yl)sulfonyl-2-methylsulfanylphenyl]acetamide is sourced from PubChem (CID 133161258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).