N-[2-[5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)thiophen-2-yl]ethyl]acetamide;hydrochloride

C15H24ClN3O3S2 — CID 119989352

IUPACN-[2-[5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)thiophen-2-yl]ethyl]acetamide;hydrochloride
SMILESCC(=O)NCCc1ccc(S(=O)(=O)N2CCC3CCC(C2)N3)s1.Cl
InChIInChI=1S/C15H23N3O3S2.ClH/c1-11(19)16-8-6-14-4-5-15(22-14)23(20,21)18-9-7-12-2-3-13(10-18)17-12;/h4-5,12-13,17H,2-3,6-10H2,1H3,(H,16,19);1H
InChIKeyIIJHYGAFUHKYAN-UHFFFAOYSA-N
MW393.96 g/mol
LogP1.36
Rot. Bonds5

About N-[2-[5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)thiophen-2-yl]ethyl]acetamide;hydrochloride

N-[2-[5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)thiophen-2-yl]ethyl]acetamide;hydrochloride (PubChem CID 119989352) has the molecular formula C15H24ClN3O3S2 and a molecular weight of 393.96 g/mol. Its IUPAC name is N-[2-[5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)thiophen-2-yl]ethyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)thiophen-2-yl]ethyl]acetamide;hydrochloride
PubChem CID119989352
Molecular FormulaC15H24ClN3O3S2
Molecular Weight393.96 g/mol
Exact Mass393.09
IUPAC NameN-[2-[5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)thiophen-2-yl]ethyl]acetamide;hydrochloride
SMILESCC(=O)NCCc1ccc(S(=O)(=O)N2CCC3CCC(C2)N3)s1.Cl
InChIInChI=1S/C15H23N3O3S2.ClH/c1-11(19)16-8-6-14-4-5-15(22-14)23(20,21)18-9-7-12-2-3-13(10-18)17-12;/h4-5,12-13,17H,2-3,6-10H2,1H3,(H,16,19);1H
InChIKeyIIJHYGAFUHKYAN-UHFFFAOYSA-N
XLogP1.36
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.96
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)thiophen-2-yl]ethyl]acetamide;hydrochloride with MolForge

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Related Compounds

3-(5-ethylthiophen-2-yl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119989567
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N-[2-[5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide
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(2R,3R)-1-[5-(2-acetamidoethyl)thiophen-2-yl]sulfonyl-2-methylpiperidine-3-carboxylic acid
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N-[2-[5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide
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CID 120715461
N-[[5-[(3S)-3-methylpiperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 124696448
N-[2-[5-(3-piperazin-1-ylpropylsulfamoyl)thiophen-2-yl]ethyl]acetamide;dihydrochloride
CID 119994670
1-[5-(acetamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)thiophen-2-yl]ethyl]acetamide;hydrochloride?
The IUPAC name of N-[2-[5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)thiophen-2-yl]ethyl]acetamide;hydrochloride (CID 119989352) is N-[2-[5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)thiophen-2-yl]ethyl]acetamide;hydrochloride.
What is the SMILES notation for N-[2-[5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)thiophen-2-yl]ethyl]acetamide;hydrochloride?
The canonical SMILES for N-[2-[5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)thiophen-2-yl]ethyl]acetamide;hydrochloride is CC(=O)NCCc1ccc(S(=O)(=O)N2CCC3CCC(C2)N3)s1.Cl.
What is the InChIKey of N-[2-[5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)thiophen-2-yl]ethyl]acetamide;hydrochloride?
The InChIKey is IIJHYGAFUHKYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S2.ClH/c1-11(19)16-8-6-14-4-5-15(22-14)23(20,21)18-9-7-12-2-3-13(10-18)17-12;/h4-5,12-13,17H,2-3,6-10H2,1H3,(H,16,19);1H.
What are the key properties of N-[2-[5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)thiophen-2-yl]ethyl]acetamide;hydrochloride?
N-[2-[5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)thiophen-2-yl]ethyl]acetamide;hydrochloride has a molecular weight of 393.96 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)thiophen-2-yl]ethyl]acetamide;hydrochloride is sourced from PubChem (CID 119989352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).