N-(3-aminobutyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride

C15H26ClN3O3S2 — CID 119497975

IUPACN-(3-aminobutyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride
SMILESCC(N)CCNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1.Cl
InChIInChI=1S/C15H25N3O3S2.ClH/c1-12(16)7-8-17-14(19)11-13-5-6-15(22-13)23(20,21)18-9-3-2-4-10-18;/h5-6,12H,2-4,7-11,16H2,1H3,(H,17,19);1H
InChIKeyKMWGTGRMRBCZOW-UHFFFAOYSA-N
MW395.98 g/mol
LogP1.74
Rot. Bonds7

About N-(3-aminobutyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride

N-(3-aminobutyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride (PubChem CID 119497975) has the molecular formula C15H26ClN3O3S2 and a molecular weight of 395.98 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride
PubChem CID119497975
Molecular FormulaC15H26ClN3O3S2
Molecular Weight395.98 g/mol
Exact Mass395.11
IUPAC NameN-(3-aminobutyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride
SMILESCC(N)CCNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1.Cl
InChIInChI=1S/C15H25N3O3S2.ClH/c1-12(16)7-8-17-14(19)11-13-5-6-15(22-13)23(20,21)18-9-3-2-4-10-18;/h5-6,12H,2-4,7-11,16H2,1H3,(H,17,19);1H
InChIKeyKMWGTGRMRBCZOW-UHFFFAOYSA-N
XLogP1.74
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.98
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminopropyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119407534
N-butyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 51155075
N-(2-amino-2-methylpropyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119627872
N-hexyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 51156188
5-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]pentanoic acid
CID 119234105
N-[2-(4-aminophenyl)ethyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119548449
N-(3-phenoxypropyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55431438
methyl 7-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]heptanoate
CID 46420163
2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 55591099
N-[[2-(ethoxymethyl)phenyl]methyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55599936
(2S)-2-amino-4-methyl-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]pentanamide;hydrochloride
CID 119802258
N-[3-(4-phenylpiperazin-1-yl)propyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 33139402

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride (CID 119497975) is N-(3-aminobutyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride is CC(N)CCNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1.Cl.
What is the InChIKey of N-(3-aminobutyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride?
The InChIKey is KMWGTGRMRBCZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S2.ClH/c1-12(16)7-8-17-14(19)11-13-5-6-15(22-13)23(20,21)18-9-3-2-4-10-18;/h5-6,12H,2-4,7-11,16H2,1H3,(H,17,19);1H.
What are the key properties of N-(3-aminobutyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride?
N-(3-aminobutyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride has a molecular weight of 395.98 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 119497975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).