N-[(1-benzylpiperidin-4-yl)methyl]-5-methylthiophene-2-sulfonamide

C18H24N2O2S2 — CID 16887802

IUPACN-[(1-benzylpiperidin-4-yl)methyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2CCN(Cc3ccccc3)CC2)s1
InChIInChI=1S/C18H24N2O2S2/c1-15-7-8-18(23-15)24(21,22)19-13-16-9-11-20(12-10-16)14-17-5-3-2-4-6-17/h2-8,16,19H,9-14H2,1H3
InChIKeyCKXWOBVMKCUNNF-UHFFFAOYSA-N
MW364.54 g/mol
LogP3.25
Rot. Bonds6

About N-[(1-benzylpiperidin-4-yl)methyl]-5-methylthiophene-2-sulfonamide

N-[(1-benzylpiperidin-4-yl)methyl]-5-methylthiophene-2-sulfonamide (PubChem CID 16887802) has the molecular formula C18H24N2O2S2 and a molecular weight of 364.54 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-yl)methyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-yl)methyl]-5-methylthiophene-2-sulfonamide
PubChem CID16887802
Molecular FormulaC18H24N2O2S2
Molecular Weight364.54 g/mol
Exact Mass364.13
IUPAC NameN-[(1-benzylpiperidin-4-yl)methyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2CCN(Cc3ccccc3)CC2)s1
InChIInChI=1S/C18H24N2O2S2/c1-15-7-8-18(23-15)24(21,22)19-13-16-9-11-20(12-10-16)14-17-5-3-2-4-6-17/h2-8,16,19H,9-14H2,1H3
InChIKeyCKXWOBVMKCUNNF-UHFFFAOYSA-N
XLogP3.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-benzylpiperidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 16887788
N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-bromothiophene-2-sulfonamide
CID 5016701
N-[(3-chlorocyclopentyl)methyl]-5-methylthiophene-2-sulfonamide
CID 106135175
5-methyl-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
CID 110640237
5-(3-methyl-1,2-oxazol-5-yl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide
CID 20936312
N-[(1-benzylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide
CID 16887794
N-[(1-benzylpiperidin-4-yl)methyl]-4-propoxybenzenesulfonamide
CID 16887822
N-[(1-benzylpiperidin-4-yl)methyl]-2,5-difluorobenzenesulfonamide
CID 16887771
N-[(1-benzylpiperidin-4-yl)methyl]-1-(4-methoxyphenyl)methanesulfonamide
CID 16887837
5-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-2-sulfonamide
CID 129334999
5-ethyl-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide
CID 16888212
1-benzyl-4-(benzylsulfonylmethyl)piperidine
CID 18919882

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-5-methylthiophene-2-sulfonamide (CID 16887802) is N-[(1-benzylpiperidin-4-yl)methyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-yl)methyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-yl)methyl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCC2CCN(Cc3ccccc3)CC2)s1.
What is the InChIKey of N-[(1-benzylpiperidin-4-yl)methyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is CKXWOBVMKCUNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S2/c1-15-7-8-18(23-15)24(21,22)19-13-16-9-11-20(12-10-16)14-17-5-3-2-4-6-17/h2-8,16,19H,9-14H2,1H3.
What are the key properties of N-[(1-benzylpiperidin-4-yl)methyl]-5-methylthiophene-2-sulfonamide?
N-[(1-benzylpiperidin-4-yl)methyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 364.54 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-yl)methyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 16887802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).