2,5-dimethyl-N-(2-methylpiperidin-4-yl)thiophene-3-sulfonamide

C12H20N2O2S2 — CID 106995677

IUPAC2,5-dimethyl-N-(2-methylpiperidin-4-yl)thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCNC(C)C2)c(C)s1
InChIInChI=1S/C12H20N2O2S2/c1-8-6-11(4-5-13-8)14-18(15,16)12-7-9(2)17-10(12)3/h7-8,11,13-14H,4-6H2,1-3H3
InChIKeyBBXKWPXSXKBOFS-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.78
Rot. Bonds3

About 2,5-dimethyl-N-(2-methylpiperidin-4-yl)thiophene-3-sulfonamide

2,5-dimethyl-N-(2-methylpiperidin-4-yl)thiophene-3-sulfonamide (PubChem CID 106995677) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-methylpiperidin-4-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-methylpiperidin-4-yl)thiophene-3-sulfonamide
PubChem CID106995677
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC Name2,5-dimethyl-N-(2-methylpiperidin-4-yl)thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCNC(C)C2)c(C)s1
InChIInChI=1S/C12H20N2O2S2/c1-8-6-11(4-5-13-8)14-18(15,16)12-7-9(2)17-10(12)3/h7-8,11,13-14H,4-6H2,1-3H3
InChIKeyBBXKWPXSXKBOFS-UHFFFAOYSA-N
XLogP1.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-(2-methylpiperidin-4-yl)thiophene-3-sulfonamide;hydrochloride
CID 120585748
2-fluoro-5-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 106995674
2-fluoro-4-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120585737
2,3,5,6-tetramethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120586042
4-fluoro-2,6-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 107328379
4-fluoro-3,5-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120586103
5-chloro-2-methyl-N-(2-methylpiperidin-4-yl)-1-benzothiophene-3-sulfonamide
CID 120586000
5-bromo-2-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 120586069
2,4-dimethyl-N-(2-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide;hydrochloride
CID 120585619
N-(2-methylpiperidin-4-yl)-2-methylsulfanylbenzenesulfonamide
CID 120713766
4-methoxy-2-methyl-N-(2-methylpiperidin-4-yl)-5-propan-2-ylbenzenesulfonamide
CID 120713778
2,5-dimethoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120586052

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-methylpiperidin-4-yl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dimethyl-N-(2-methylpiperidin-4-yl)thiophene-3-sulfonamide (CID 106995677) is 2,5-dimethyl-N-(2-methylpiperidin-4-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-(2-methylpiperidin-4-yl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dimethyl-N-(2-methylpiperidin-4-yl)thiophene-3-sulfonamide is Cc1cc(S(=O)(=O)NC2CCNC(C)C2)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-(2-methylpiperidin-4-yl)thiophene-3-sulfonamide?
The InChIKey is BBXKWPXSXKBOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-8-6-11(4-5-13-8)14-18(15,16)12-7-9(2)17-10(12)3/h7-8,11,13-14H,4-6H2,1-3H3.
What are the key properties of 2,5-dimethyl-N-(2-methylpiperidin-4-yl)thiophene-3-sulfonamide?
2,5-dimethyl-N-(2-methylpiperidin-4-yl)thiophene-3-sulfonamide has a molecular weight of 288.44 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-methylpiperidin-4-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 106995677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).