N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide;hydrochloride

C15H26ClN3O3S2 — CID 119646130

IUPACN-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide;hydrochloride
SMILESCCNCC1CCN(C(=O)C(C)NS(=O)(=O)c2cccs2)CC1.Cl
InChIInChI=1S/C15H25N3O3S2.ClH/c1-3-16-11-13-6-8-18(9-7-13)15(19)12(2)17-23(20,21)14-5-4-10-22-14;/h4-5,10,12-13,16-17H,3,6-9,11H2,1-2H3;1H
InChIKeyBENIZFKSQXAFJS-UHFFFAOYSA-N
MW395.98 g/mol
LogP1.68
Rot. Bonds7

About N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide;hydrochloride

N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide;hydrochloride (PubChem CID 119646130) has the molecular formula C15H26ClN3O3S2 and a molecular weight of 395.98 g/mol. Its IUPAC name is N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide;hydrochloride
PubChem CID119646130
Molecular FormulaC15H26ClN3O3S2
Molecular Weight395.98 g/mol
Exact Mass395.11
IUPAC NameN-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide;hydrochloride
SMILESCCNCC1CCN(C(=O)C(C)NS(=O)(=O)c2cccs2)CC1.Cl
InChIInChI=1S/C15H25N3O3S2.ClH/c1-3-16-11-13-6-8-18(9-7-13)15(19)12(2)17-23(20,21)14-5-4-10-22-14;/h4-5,10,12-13,16-17H,3,6-9,11H2,1-2H3;1H
InChIKeyBENIZFKSQXAFJS-UHFFFAOYSA-N
XLogP1.68
TPSA78.51 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 ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide
CID 119544649
N-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide;hydrochloride
CID 119623383
N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide
CID 119662992
N-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide
CID 119594615
4-[2-(thiophen-2-ylsulfonylamino)propanoyl]morpholine-2-carboxylic acid
CID 119240076
N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 119726760
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 80552497
N-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide
CID 60547640
2-(4-benzylpiperidin-1-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119646213
N-propyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 46820888
2-[2-(thiophen-2-ylsulfonylamino)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 119196202
N-[1-[2-(3-methylbutoxy)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 48851978

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide;hydrochloride?
The IUPAC name of N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide;hydrochloride (CID 119646130) is N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide;hydrochloride is CCNCC1CCN(C(=O)C(C)NS(=O)(=O)c2cccs2)CC1.Cl.
What is the InChIKey of N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide;hydrochloride?
The InChIKey is BENIZFKSQXAFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S2.ClH/c1-3-16-11-13-6-8-18(9-7-13)15(19)12(2)17-23(20,21)14-5-4-10-22-14;/h4-5,10,12-13,16-17H,3,6-9,11H2,1-2H3;1H.
What are the key properties of N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide;hydrochloride?
N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide;hydrochloride has a molecular weight of 395.98 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 119646130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).