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

C14H20N2O3S — CID 743581

IUPACN-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1
InChIInChI=1S/C14H20N2O3S/c1-11-4-3-9-16(10-11)20(18,19)14-7-5-13(6-8-14)15-12(2)17/h5-8,11H,3-4,9-10H2,1-2H3,(H,15,17)/t11-/m0/s1
InChIKeyRCDQLWQLAFAHPS-NSHDSACASA-N
MW296.39 g/mol
LogP2.07
Rot. Bonds3

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

N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 743581) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID743581
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1
InChIInChI=1S/C14H20N2O3S/c1-11-4-3-9-16(10-11)20(18,19)14-7-5-13(6-8-14)15-12(2)17/h5-8,11H,3-4,9-10H2,1-2H3,(H,15,17)/t11-/m0/s1
InChIKeyRCDQLWQLAFAHPS-NSHDSACASA-N
XLogP2.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584
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
4-(acetamidomethyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 46820186
2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]ethene-1,1,2-tricarbonitrile
CID 168609162
2-(4-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17312033
2-chloro-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311381
2-[(3R)-3-methylpiperidin-1-ium-1-yl]-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 7116551
4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoic acid
CID 1132674
4-(3-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 2770974
3,5-dimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311561
2-(4-fluorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17311952

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide (CID 743581) is N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1.
What is the InChIKey of N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is RCDQLWQLAFAHPS-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-11-4-3-9-16(10-11)20(18,19)14-7-5-13(6-8-14)15-12(2)17/h5-8,11H,3-4,9-10H2,1-2H3,(H,15,17)/t11-/m0/s1.
What are the key properties of N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide?
N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 296.39 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 743581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).