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

C15H24N2O3S2 — CID 71860765

IUPAC[1-[4-(5-methylthiophen-2-yl)butanoyl]piperidin-4-yl]methanesulfonamide
SMILESCc1ccc(CCCC(=O)N2CCC(CS(N)(=O)=O)CC2)s1
InChIInChI=1S/C15H24N2O3S2/c1-12-5-6-14(21-12)3-2-4-15(18)17-9-7-13(8-10-17)11-22(16,19)20/h5-6,13H,2-4,7-11H2,1H3,(H2,16,19,20)
InChIKeyNMPBRVQDACKOJW-UHFFFAOYSA-N
MW344.50 g/mol
LogP1.91
Rot. Bonds6

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

[1-[4-(5-methylthiophen-2-yl)butanoyl]piperidin-4-yl]methanesulfonamide (PubChem CID 71860765) has the molecular formula C15H24N2O3S2 and a molecular weight of 344.50 g/mol. Its IUPAC name is [1-[4-(5-methylthiophen-2-yl)butanoyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-[4-(5-methylthiophen-2-yl)butanoyl]piperidin-4-yl]methanesulfonamide
PubChem CID71860765
Molecular FormulaC15H24N2O3S2
Molecular Weight344.50 g/mol
Exact Mass344.12
IUPAC Name[1-[4-(5-methylthiophen-2-yl)butanoyl]piperidin-4-yl]methanesulfonamide
SMILESCc1ccc(CCCC(=O)N2CCC(CS(N)(=O)=O)CC2)s1
InChIInChI=1S/C15H24N2O3S2/c1-12-5-6-14(21-12)3-2-4-15(18)17-9-7-13(8-10-17)11-22(16,19)20/h5-6,13H,2-4,7-11H2,1H3,(H2,16,19,20)
InChIKeyNMPBRVQDACKOJW-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of [1-[4-(5-methylthiophen-2-yl)butanoyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of [1-[4-(5-methylthiophen-2-yl)butanoyl]piperidin-4-yl]methanesulfonamide (CID 71860765) is [1-[4-(5-methylthiophen-2-yl)butanoyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for [1-[4-(5-methylthiophen-2-yl)butanoyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for [1-[4-(5-methylthiophen-2-yl)butanoyl]piperidin-4-yl]methanesulfonamide is Cc1ccc(CCCC(=O)N2CCC(CS(N)(=O)=O)CC2)s1.
What is the InChIKey of [1-[4-(5-methylthiophen-2-yl)butanoyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is NMPBRVQDACKOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S2/c1-12-5-6-14(21-12)3-2-4-15(18)17-9-7-13(8-10-17)11-22(16,19)20/h5-6,13H,2-4,7-11H2,1H3,(H2,16,19,20).
What are the key properties of [1-[4-(5-methylthiophen-2-yl)butanoyl]piperidin-4-yl]methanesulfonamide?
[1-[4-(5-methylthiophen-2-yl)butanoyl]piperidin-4-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 [1-[4-(5-methylthiophen-2-yl)butanoyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 71860765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).