2-[4-(methylamino)piperidine-1-carbonyl]-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide;hydrochloride

C16H22ClN3O3S3 — CID 119561195

IUPAC2-[4-(methylamino)piperidine-1-carbonyl]-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide;hydrochloride
SMILESCNC1CCN(C(=O)c2sccc2S(=O)(=O)NCc2cccs2)CC1.Cl
InChIInChI=1S/C16H21N3O3S3.ClH/c1-17-12-4-7-19(8-5-12)16(20)15-14(6-10-24-15)25(21,22)18-11-13-3-2-9-23-13;/h2-3,6,9-10,12,17-18H,4-5,7-8,11H2,1H3;1H
InChIKeyCXRAGFHLKIZKEU-UHFFFAOYSA-N
MW436.02 g/mol
LogP2.53
Rot. Bonds6

About 2-[4-(methylamino)piperidine-1-carbonyl]-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide;hydrochloride

2-[4-(methylamino)piperidine-1-carbonyl]-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide;hydrochloride (PubChem CID 119561195) has the molecular formula C16H22ClN3O3S3 and a molecular weight of 436.02 g/mol. Its IUPAC name is 2-[4-(methylamino)piperidine-1-carbonyl]-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide;hydrochloride.

Molecular Properties

Compound Name2-[4-(methylamino)piperidine-1-carbonyl]-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide;hydrochloride
PubChem CID119561195
Molecular FormulaC16H22ClN3O3S3
Molecular Weight436.02 g/mol
Exact Mass435.05
IUPAC Name2-[4-(methylamino)piperidine-1-carbonyl]-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide;hydrochloride
SMILESCNC1CCN(C(=O)c2sccc2S(=O)(=O)NCc2cccs2)CC1.Cl
InChIInChI=1S/C16H21N3O3S3.ClH/c1-17-12-4-7-19(8-5-12)16(20)15-14(6-10-24-15)25(21,22)18-11-13-3-2-9-23-13;/h2-3,6,9-10,12,17-18H,4-5,7-8,11H2,1H3;1H
InChIKeyCXRAGFHLKIZKEU-UHFFFAOYSA-N
XLogP2.53
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.02
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-pyrrolidin-3-yl-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide;hydrochloride
CID 119451091
(3-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562122
N-[2-(cyclopropylmethoxy)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide
CID 86900163
3-(4-ethoxypiperidine-1-carbonyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 60551524
3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 119538468
2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N-dimethylthiophene-3-sulfonamide
CID 119623007
1,2-dimethyl-5-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]-N-(thiophen-2-ylmethyl)pyrrole-3-sulfonamide
CID 53114838
1-[4-(thiophen-2-ylmethylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119354937
N-[(2,5-dimethylfuran-3-yl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide
CID 86951524
3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 38491610
1-[3-(thiophen-2-ylmethylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119354635
tert-butyl 4-(thiophen-2-ylmethylamino)piperidine-1-carboxylate
CID 43652164

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylamino)piperidine-1-carbonyl]-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide;hydrochloride?
The IUPAC name of 2-[4-(methylamino)piperidine-1-carbonyl]-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide;hydrochloride (CID 119561195) is 2-[4-(methylamino)piperidine-1-carbonyl]-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide;hydrochloride.
What is the SMILES notation for 2-[4-(methylamino)piperidine-1-carbonyl]-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide;hydrochloride?
The canonical SMILES for 2-[4-(methylamino)piperidine-1-carbonyl]-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide;hydrochloride is CNC1CCN(C(=O)c2sccc2S(=O)(=O)NCc2cccs2)CC1.Cl.
What is the InChIKey of 2-[4-(methylamino)piperidine-1-carbonyl]-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide;hydrochloride?
The InChIKey is CXRAGFHLKIZKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S3.ClH/c1-17-12-4-7-19(8-5-12)16(20)15-14(6-10-24-15)25(21,22)18-11-13-3-2-9-23-13;/h2-3,6,9-10,12,17-18H,4-5,7-8,11H2,1H3;1H.
What are the key properties of 2-[4-(methylamino)piperidine-1-carbonyl]-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide;hydrochloride?
2-[4-(methylamino)piperidine-1-carbonyl]-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide;hydrochloride has a molecular weight of 436.02 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylamino)piperidine-1-carbonyl]-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide;hydrochloride is sourced from PubChem (CID 119561195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).