2,4-dimethyl-N-(2-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide;hydrochloride

C11H20ClN3O2S2 — CID 120585619

IUPAC2,4-dimethyl-N-(2-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide;hydrochloride
SMILESCc1nc(C)c(S(=O)(=O)NC2CCNC(C)C2)s1.Cl
InChIInChI=1S/C11H19N3O2S2.ClH/c1-7-6-10(4-5-12-7)14-18(15,16)11-8(2)13-9(3)17-11;/h7,10,12,14H,4-6H2,1-3H3;1H
InChIKeyDKCJNLVDSJUZPU-UHFFFAOYSA-N
MW325.89 g/mol
LogP1.60
Rot. Bonds3

About 2,4-dimethyl-N-(2-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide;hydrochloride

2,4-dimethyl-N-(2-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide;hydrochloride (PubChem CID 120585619) has the molecular formula C11H20ClN3O2S2 and a molecular weight of 325.89 g/mol. Its IUPAC name is 2,4-dimethyl-N-(2-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide;hydrochloride.

Molecular Properties

Compound Name2,4-dimethyl-N-(2-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide;hydrochloride
PubChem CID120585619
Molecular FormulaC11H20ClN3O2S2
Molecular Weight325.89 g/mol
Exact Mass325.07
IUPAC Name2,4-dimethyl-N-(2-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide;hydrochloride
SMILESCc1nc(C)c(S(=O)(=O)NC2CCNC(C)C2)s1.Cl
InChIInChI=1S/C11H19N3O2S2.ClH/c1-7-6-10(4-5-12-7)14-18(15,16)11-8(2)13-9(3)17-11;/h7,10,12,14H,4-6H2,1-3H3;1H
InChIKeyDKCJNLVDSJUZPU-UHFFFAOYSA-N
XLogP1.60
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.89
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-N-(2-methylpiperidin-4-yl)thiophene-3-sulfonamide
CID 106995677
2,3,5,6-tetramethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120586042
2,5-dichloro-N-(2-methylpiperidin-4-yl)thiophene-3-sulfonamide;hydrochloride
CID 120585748
2-methyl-N-(methylsulfamoyl)piperidin-4-amine
CID 106995824
4-fluoro-3,5-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120586103
3-methoxy-N-(2-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 120586094
4-fluoro-2,6-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 107328379
2-fluoro-6-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120713810
2-fluoro-4-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120585737
N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide
CID 106995654
2-fluoro-5-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 106995674
N-(2-methylpiperidin-4-yl)furan-2-sulfonamide
CID 120875795

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(2-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide;hydrochloride?
The IUPAC name of 2,4-dimethyl-N-(2-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide;hydrochloride (CID 120585619) is 2,4-dimethyl-N-(2-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide;hydrochloride.
What is the SMILES notation for 2,4-dimethyl-N-(2-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide;hydrochloride?
The canonical SMILES for 2,4-dimethyl-N-(2-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide;hydrochloride is Cc1nc(C)c(S(=O)(=O)NC2CCNC(C)C2)s1.Cl.
What is the InChIKey of 2,4-dimethyl-N-(2-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide;hydrochloride?
The InChIKey is DKCJNLVDSJUZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S2.ClH/c1-7-6-10(4-5-12-7)14-18(15,16)11-8(2)13-9(3)17-11;/h7,10,12,14H,4-6H2,1-3H3;1H.
What are the key properties of 2,4-dimethyl-N-(2-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide;hydrochloride?
2,4-dimethyl-N-(2-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide;hydrochloride has a molecular weight of 325.89 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(2-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide;hydrochloride is sourced from PubChem (CID 120585619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).