N-(1-acetylpiperidin-4-yl)-5-methylthiophene-2-sulfonamide

C12H18N2O3S2 — CID 39966135

IUPACN-(1-acetylpiperidin-4-yl)-5-methylthiophene-2-sulfonamide
SMILESCC(=O)N1CCC(NS(=O)(=O)c2ccc(C)s2)CC1
InChIInChI=1S/C12H18N2O3S2/c1-9-3-4-12(18-9)19(16,17)13-11-5-7-14(8-6-11)10(2)15/h3-4,11,13H,5-8H2,1-2H3
InChIKeyJDLSQHYJWCDCHU-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.35
Rot. Bonds3

About N-(1-acetylpiperidin-4-yl)-5-methylthiophene-2-sulfonamide

N-(1-acetylpiperidin-4-yl)-5-methylthiophene-2-sulfonamide (PubChem CID 39966135) has the molecular formula C12H18N2O3S2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-5-methylthiophene-2-sulfonamide
PubChem CID39966135
Molecular FormulaC12H18N2O3S2
Molecular Weight302.42 g/mol
Exact Mass302.08
IUPAC NameN-(1-acetylpiperidin-4-yl)-5-methylthiophene-2-sulfonamide
SMILESCC(=O)N1CCC(NS(=O)(=O)c2ccc(C)s2)CC1
InChIInChI=1S/C12H18N2O3S2/c1-9-3-4-12(18-9)19(16,17)13-11-5-7-14(8-6-11)10(2)15/h3-4,11,13H,5-8H2,1-2H3
InChIKeyJDLSQHYJWCDCHU-UHFFFAOYSA-N
XLogP1.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-acetylpyrrolidin-3-yl)-5-methylthiophene-2-sulfonamide
CID 110871416
N-cyclopentyl-5-methylthiophene-2-sulfonamide
CID 39792230
5-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide
CID 110726893
N-(4-bromocyclohexyl)-5-methylthiophene-2-sulfonamide
CID 114295850
N-(1-acetylpiperidin-4-yl)-3,4-dimethylbenzenesulfonamide
CID 18141492
ethyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]piperidine-1-carboxylate
CID 2815498
methyl 4-[(5-ethylthiophen-2-yl)sulfonylamino]piperidine-1-carboxylate
CID 86841914
N-(1-acetylpiperidin-4-yl)-3-methylbenzenesulfonamide
CID 47114532
N-(1-acetylpiperidin-4-yl)-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide
CID 61053296
N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113011286
5-methyl-N-[(1R,2S)-2-piperidin-1-ylcyclohexyl]thiophene-2-sulfonamide
CID 153311127
N-(1-acetylpiperidin-4-yl)-2,4-difluorobenzenesulfonamide
CID 18141486

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-5-methylthiophene-2-sulfonamide (CID 39966135) is N-(1-acetylpiperidin-4-yl)-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-5-methylthiophene-2-sulfonamide is CC(=O)N1CCC(NS(=O)(=O)c2ccc(C)s2)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-5-methylthiophene-2-sulfonamide?
The InChIKey is JDLSQHYJWCDCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S2/c1-9-3-4-12(18-9)19(16,17)13-11-5-7-14(8-6-11)10(2)15/h3-4,11,13H,5-8H2,1-2H3.
What are the key properties of N-(1-acetylpiperidin-4-yl)-5-methylthiophene-2-sulfonamide?
N-(1-acetylpiperidin-4-yl)-5-methylthiophene-2-sulfonamide has a molecular weight of 302.42 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 39966135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).