2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide;hydrochloride

C15H24ClN3O3S2 — CID 119698670

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide;hydrochloride
SMILESCNS(=O)(=O)c1ccc(CNC(=O)CC2CC3CCC(C2)N3)s1.Cl
InChIInChI=1S/C15H23N3O3S2.ClH/c1-16-23(20,21)15-5-4-13(22-15)9-17-14(19)8-10-6-11-2-3-12(7-10)18-11;/h4-5,10-12,16,18H,2-3,6-9H2,1H3,(H,17,19);1H
InChIKeySWGCXAMGJAXBCB-UHFFFAOYSA-N
MW393.96 g/mol
LogP1.61
Rot. Bonds6

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide;hydrochloride (PubChem CID 119698670) has the molecular formula C15H24ClN3O3S2 and a molecular weight of 393.96 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide;hydrochloride
PubChem CID119698670
Molecular FormulaC15H24ClN3O3S2
Molecular Weight393.96 g/mol
Exact Mass393.09
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide;hydrochloride
SMILESCNS(=O)(=O)c1ccc(CNC(=O)CC2CC3CCC(C2)N3)s1.Cl
InChIInChI=1S/C15H23N3O3S2.ClH/c1-16-23(20,21)15-5-4-13(22-15)9-17-14(19)8-10-6-11-2-3-12(7-10)18-11;/h4-5,10-12,16,18H,2-3,6-9H2,1H3,(H,17,19);1H
InChIKeySWGCXAMGJAXBCB-UHFFFAOYSA-N
XLogP1.61
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.96
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide;hydrochloride with MolForge

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Related Compounds

2-(cyclopropylmethylamino)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide;hydrochloride
CID 119698668
2-(cyclopropylmethylamino)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide
CID 119698669
N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119698683
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119679299
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-(ethylsulfamoyl)phenyl]methyl]acetamide;hydrochloride
CID 119821871
2-cyclobutyl-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 103706432
2-(3-ethoxycyclobutyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 103164410
2-cyclohexyl-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 43093036
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 79607925
N-[4-[[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]methyl]phenyl]-2-methylpropanamide;hydrochloride
CID 119701224
(2R,3S)-2-methyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120920550
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
CID 119679698

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide;hydrochloride (CID 119698670) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide;hydrochloride is CNS(=O)(=O)c1ccc(CNC(=O)CC2CC3CCC(C2)N3)s1.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide;hydrochloride?
The InChIKey is SWGCXAMGJAXBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S2.ClH/c1-16-23(20,21)15-5-4-13(22-15)9-17-14(19)8-10-6-11-2-3-12(7-10)18-11;/h4-5,10-12,16,18H,2-3,6-9H2,1H3,(H,17,19);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide;hydrochloride has a molecular weight of 393.96 g/mol, XLogP of 1.61, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 119698670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).