5-methyl-N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide

C16H21N3O2S2 — CID 113030864

IUPAC5-methyl-N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N3CCCC(C)C3)cn2)s1
InChIInChI=1S/C16H21N3O2S2/c1-12-4-3-9-19(11-12)14-6-7-15(17-10-14)18-23(20,21)16-8-5-13(2)22-16/h5-8,10,12H,3-4,9,11H2,1-2H3,(H,17,18)
InChIKeyJQOSXDCDCDRZRB-UHFFFAOYSA-N
MW351.50 g/mol
LogP3.49
Rot. Bonds4

About 5-methyl-N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide

5-methyl-N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide (PubChem CID 113030864) has the molecular formula C16H21N3O2S2 and a molecular weight of 351.50 g/mol. Its IUPAC name is 5-methyl-N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide
PubChem CID113030864
Molecular FormulaC16H21N3O2S2
Molecular Weight351.50 g/mol
Exact Mass351.11
IUPAC Name5-methyl-N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N3CCCC(C)C3)cn2)s1
InChIInChI=1S/C16H21N3O2S2/c1-12-4-3-9-19(11-12)14-6-7-15(17-10-14)18-23(20,21)16-8-5-13(2)22-16/h5-8,10,12H,3-4,9,11H2,1-2H3,(H,17,18)
InChIKeyJQOSXDCDCDRZRB-UHFFFAOYSA-N
XLogP3.49
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]propane-1-sulfonamide
CID 113030836
N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113030849
5-ethyl-N-(5-piperidin-1-yl-2-pyridinyl)thiophene-2-sulfonamide
CID 113024663
N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113031841
4-methyl-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113024884
3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine
CID 4729251
N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]propanamide
CID 113030760
5-chloro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide
CID 113025912
3,4-dimethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide
CID 113024384
5-chloro-N-(5-morpholin-4-yl-2-pyridinyl)thiophene-2-sulfonamide
CID 113025338
1-cyclohexyl-3-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]urea
CID 113030823
5-chloro-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide
CID 113026023

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide (CID 113030864) is 5-methyl-N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(N3CCCC(C)C3)cn2)s1.
What is the InChIKey of 5-methyl-N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide?
The InChIKey is JQOSXDCDCDRZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S2/c1-12-4-3-9-19(11-12)14-6-7-15(17-10-14)18-23(20,21)16-8-5-13(2)22-16/h5-8,10,12H,3-4,9,11H2,1-2H3,(H,17,18).
What are the key properties of 5-methyl-N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide?
5-methyl-N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide has a molecular weight of 351.50 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113030864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).