[(3R)-1-[4-(5-methylthiophen-2-yl)butanoyl]piperidin-3-yl]methanesulfonamide

C15H24N2O3S2 — CID 96560950

IUPAC[(3R)-1-[4-(5-methylthiophen-2-yl)butanoyl]piperidin-3-yl]methanesulfonamide
SMILESCc1ccc(CCCC(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)s1
InChIInChI=1S/C15H24N2O3S2/c1-12-7-8-14(21-12)5-2-6-15(18)17-9-3-4-13(10-17)11-22(16,19)20/h7-8,13H,2-6,9-11H2,1H3,(H2,16,19,20)/t13-/m1/s1
InChIKeyRJUCHNYBWPRKGK-CYBMUJFWSA-N
MW344.50 g/mol
LogP1.91
Rot. Bonds6

About [(3R)-1-[4-(5-methylthiophen-2-yl)butanoyl]piperidin-3-yl]methanesulfonamide

[(3R)-1-[4-(5-methylthiophen-2-yl)butanoyl]piperidin-3-yl]methanesulfonamide (PubChem CID 96560950) has the molecular formula C15H24N2O3S2 and a molecular weight of 344.50 g/mol. Its IUPAC name is [(3R)-1-[4-(5-methylthiophen-2-yl)butanoyl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[(3R)-1-[4-(5-methylthiophen-2-yl)butanoyl]piperidin-3-yl]methanesulfonamide
PubChem CID96560950
Molecular FormulaC15H24N2O3S2
Molecular Weight344.50 g/mol
Exact Mass344.12
IUPAC Name[(3R)-1-[4-(5-methylthiophen-2-yl)butanoyl]piperidin-3-yl]methanesulfonamide
SMILESCc1ccc(CCCC(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)s1
InChIInChI=1S/C15H24N2O3S2/c1-12-7-8-14(21-12)5-2-6-15(18)17-9-3-4-13(10-17)11-22(16,19)20/h7-8,13H,2-6,9-11H2,1H3,(H2,16,19,20)/t13-/m1/s1
InChIKeyRJUCHNYBWPRKGK-CYBMUJFWSA-N
XLogP1.91
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[4-(5-methylthiophen-2-yl)butanoyl]piperidine-3-carboxylic acid
CID 99623166
[1-(4-cyclopentylbutanoyl)piperidin-3-yl]methanesulfonamide
CID 71994818
3-[(3R)-1-[4-(5-bromothiophen-2-yl)butanoyl]piperidin-3-yl]propanoic acid
CID 124701500
1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-(5-methylthiophen-2-yl)butan-1-one
CID 124590420
1-[3-(aminomethyl)pyrrolidin-1-yl]-4-(5-bromothiophen-2-yl)butan-1-one
CID 119486898
[(3R)-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methanesulfonamide
CID 126451013
1-[2-(aminomethyl)piperidin-1-yl]-4-(5-methylthiophen-2-yl)butan-1-one;hydrochloride
CID 119469364
[1-[3-[4-(dimethylamino)phenyl]propanoyl]pyrrolidin-3-yl]methanesulfonamide
CID 118795576
1-(3-aminopiperidin-1-yl)-4-(4-methylphenyl)butan-1-one
CID 115277247
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-4-(5-methylthiophen-2-yl)butan-1-one;hydrochloride
CID 119651768
1-[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 155900645
N-[[1-(4-thiophen-2-ylbutanoyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide
CID 45252310

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[4-(5-methylthiophen-2-yl)butanoyl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of [(3R)-1-[4-(5-methylthiophen-2-yl)butanoyl]piperidin-3-yl]methanesulfonamide (CID 96560950) is [(3R)-1-[4-(5-methylthiophen-2-yl)butanoyl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for [(3R)-1-[4-(5-methylthiophen-2-yl)butanoyl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for [(3R)-1-[4-(5-methylthiophen-2-yl)butanoyl]piperidin-3-yl]methanesulfonamide is Cc1ccc(CCCC(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)s1.
What is the InChIKey of [(3R)-1-[4-(5-methylthiophen-2-yl)butanoyl]piperidin-3-yl]methanesulfonamide?
The InChIKey is RJUCHNYBWPRKGK-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N2O3S2/c1-12-7-8-14(21-12)5-2-6-15(18)17-9-3-4-13(10-17)11-22(16,19)20/h7-8,13H,2-6,9-11H2,1H3,(H2,16,19,20)/t13-/m1/s1.
What are the key properties of [(3R)-1-[4-(5-methylthiophen-2-yl)butanoyl]piperidin-3-yl]methanesulfonamide?
[(3R)-1-[4-(5-methylthiophen-2-yl)butanoyl]piperidin-3-yl]methanesulfonamide has a molecular weight of 344.50 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[4-(5-methylthiophen-2-yl)butanoyl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 96560950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).