N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(methylsulfamoyl)thiophene-2-carboxamide;hydrochloride

C14H24ClN3O4S2 — CID 120888439

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(methylsulfamoyl)thiophene-2-carboxamide;hydrochloride
SMILESCNS(=O)(=O)c1csc(C(=O)NCC2(COC)CCNCC2)c1.Cl
InChIInChI=1S/C14H23N3O4S2.ClH/c1-15-23(19,20)11-7-12(22-8-11)13(18)17-9-14(10-21-2)3-5-16-6-4-14;/h7-8,15-16H,3-6,9-10H2,1-2H3,(H,17,18);1H
InChIKeyPJJWKXKAWMZRLI-UHFFFAOYSA-N
MW397.95 g/mol
LogP0.82
Rot. Bonds7

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(methylsulfamoyl)thiophene-2-carboxamide;hydrochloride

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(methylsulfamoyl)thiophene-2-carboxamide;hydrochloride (PubChem CID 120888439) has the molecular formula C14H24ClN3O4S2 and a molecular weight of 397.95 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(methylsulfamoyl)thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(methylsulfamoyl)thiophene-2-carboxamide;hydrochloride
PubChem CID120888439
Molecular FormulaC14H24ClN3O4S2
Molecular Weight397.95 g/mol
Exact Mass397.09
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(methylsulfamoyl)thiophene-2-carboxamide;hydrochloride
SMILESCNS(=O)(=O)c1csc(C(=O)NCC2(COC)CCNCC2)c1.Cl
InChIInChI=1S/C14H23N3O4S2.ClH/c1-15-23(19,20)11-7-12(22-8-11)13(18)17-9-14(10-21-2)3-5-16-6-4-14;/h7-8,15-16H,3-6,9-10H2,1-2H3,(H,17,18);1H
InChIKeyPJJWKXKAWMZRLI-UHFFFAOYSA-N
XLogP0.82
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.95
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-(methylsulfamoyl)-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide
CID 119448759
5-(ethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide
CID 120889315
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120889712
5-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 120889009
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride
CID 120889298
4-(difluoromethylsulfonyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120889912
2-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120891937
3-(ethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888580
4-(2-methoxyethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide
CID 120890345
methyl 4-[(4-methylpiperidin-4-yl)methylsulfamoyl]thiophene-2-carboxylate
CID 120719871
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide;hydrochloride
CID 120891605
4,5-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide
CID 120891978

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(methylsulfamoyl)thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(methylsulfamoyl)thiophene-2-carboxamide;hydrochloride (CID 120888439) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(methylsulfamoyl)thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(methylsulfamoyl)thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(methylsulfamoyl)thiophene-2-carboxamide;hydrochloride is CNS(=O)(=O)c1csc(C(=O)NCC2(COC)CCNCC2)c1.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(methylsulfamoyl)thiophene-2-carboxamide;hydrochloride?
The InChIKey is PJJWKXKAWMZRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S2.ClH/c1-15-23(19,20)11-7-12(22-8-11)13(18)17-9-14(10-21-2)3-5-16-6-4-14;/h7-8,15-16H,3-6,9-10H2,1-2H3,(H,17,18);1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(methylsulfamoyl)thiophene-2-carboxamide;hydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(methylsulfamoyl)thiophene-2-carboxamide;hydrochloride has a molecular weight of 397.95 g/mol, XLogP of 0.82, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(methylsulfamoyl)thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 120888439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).