N-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-piperidin-4-ylthiophene-2-sulfonamide;hydrochloride

C14H20ClN3O2S3 — CID 119965838

IUPACN-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-piperidin-4-ylthiophene-2-sulfonamide;hydrochloride
SMILESCc1nc(-c2ccc(S(=O)(=O)N(C)C3CCNCC3)s2)cs1.Cl
InChIInChI=1S/C14H19N3O2S3.ClH/c1-10-16-12(9-20-10)13-3-4-14(21-13)22(18,19)17(2)11-5-7-15-8-6-11;/h3-4,9,11,15H,5-8H2,1-2H3;1H
InChIKeyHOHVROXNZLOOFO-UHFFFAOYSA-N
MW393.99 g/mol
LogP2.97
Rot. Bonds4

About N-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-piperidin-4-ylthiophene-2-sulfonamide;hydrochloride

N-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-piperidin-4-ylthiophene-2-sulfonamide;hydrochloride (PubChem CID 119965838) has the molecular formula C14H20ClN3O2S3 and a molecular weight of 393.99 g/mol. Its IUPAC name is N-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-piperidin-4-ylthiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-piperidin-4-ylthiophene-2-sulfonamide;hydrochloride
PubChem CID119965838
Molecular FormulaC14H20ClN3O2S3
Molecular Weight393.99 g/mol
Exact Mass393.04
IUPAC NameN-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-piperidin-4-ylthiophene-2-sulfonamide;hydrochloride
SMILESCc1nc(-c2ccc(S(=O)(=O)N(C)C3CCNCC3)s2)cs1.Cl
InChIInChI=1S/C14H19N3O2S3.ClH/c1-10-16-12(9-20-10)13-3-4-14(21-13)22(18,19)17(2)11-5-7-15-8-6-11;/h3-4,9,11,15H,5-8H2,1-2H3;1H
InChIKeyHOHVROXNZLOOFO-UHFFFAOYSA-N
XLogP2.97
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.99
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-methyl-N-piperidin-4-ylthiophene-2-sulfonamide
CID 11561062
N-(1-aminopropan-2-yl)-N-methyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
CID 119982674
N-(azepan-4-yl)-5-ethyl-N-methylthiophene-2-sulfonamide
CID 107173116
5-chloro-N-methyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide;hydrochloride
CID 119978813
N-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidin-4-amine
CID 119980061
N-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
CID 2795582
N-[[1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990493
N-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidin-3-amine;hydrochloride
CID 120714634
(2R,4R)-2-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidin-4-amine
CID 125420054
(2R,3R)-2-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxylic acid
CID 122105266
5-methyl-N-piperidin-4-yl-N-propylthiophene-2-sulfonamide
CID 54923399
ethyl 1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxylate
CID 2795657

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-piperidin-4-ylthiophene-2-sulfonamide;hydrochloride?
The IUPAC name of N-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-piperidin-4-ylthiophene-2-sulfonamide;hydrochloride (CID 119965838) is N-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-piperidin-4-ylthiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-piperidin-4-ylthiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for N-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-piperidin-4-ylthiophene-2-sulfonamide;hydrochloride is Cc1nc(-c2ccc(S(=O)(=O)N(C)C3CCNCC3)s2)cs1.Cl.
What is the InChIKey of N-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-piperidin-4-ylthiophene-2-sulfonamide;hydrochloride?
The InChIKey is HOHVROXNZLOOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S3.ClH/c1-10-16-12(9-20-10)13-3-4-14(21-13)22(18,19)17(2)11-5-7-15-8-6-11;/h3-4,9,11,15H,5-8H2,1-2H3;1H.
What are the key properties of N-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-piperidin-4-ylthiophene-2-sulfonamide;hydrochloride?
N-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-piperidin-4-ylthiophene-2-sulfonamide;hydrochloride has a molecular weight of 393.99 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-piperidin-4-ylthiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 119965838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).