N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide;hydrochloride

C14H24ClN3O4S2 — CID 119663314

IUPACN-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide;hydrochloride
SMILESCl.NCCCOC1CCN(C(=O)CNS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C14H23N3O4S2.ClH/c15-6-2-9-21-12-4-7-17(8-5-12)13(18)11-16-23(19,20)14-3-1-10-22-14;/h1,3,10,12,16H,2,4-9,11,15H2;1H
InChIKeyJZGAKRDVGQQFPW-UHFFFAOYSA-N
MW397.95 g/mol
LogP0.80
Rot. Bonds8

About N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide;hydrochloride

N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide;hydrochloride (PubChem CID 119663314) has the molecular formula C14H24ClN3O4S2 and a molecular weight of 397.95 g/mol. Its IUPAC name is N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide;hydrochloride
PubChem CID119663314
Molecular FormulaC14H24ClN3O4S2
Molecular Weight397.95 g/mol
Exact Mass397.09
IUPAC NameN-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide;hydrochloride
SMILESCl.NCCCOC1CCN(C(=O)CNS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C14H23N3O4S2.ClH/c15-6-2-9-21-12-4-7-17(8-5-12)13(18)11-16-23(19,20)14-3-1-10-22-14;/h1,3,10,12,16H,2,4-9,11,15H2;1H
InChIKeyJZGAKRDVGQQFPW-UHFFFAOYSA-N
XLogP0.80
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.95
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide
CID 119662992
N-[2-[4-(aminomethyl)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 119423527
1-[4-(3-aminopropoxy)piperidin-1-yl]-4-thiophen-2-ylbutane-1,4-dione;hydrochloride
CID 119661499
N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 119291200
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 119662769
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 39888506
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one
CID 119662698
N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 112991880
N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide;hydrochloride
CID 119491037
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 46361154
N-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]thiophene-2-sulfonamide;hydrochloride
CID 120658920
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 22583185

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide;hydrochloride?
The IUPAC name of N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide;hydrochloride (CID 119663314) is N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide;hydrochloride is Cl.NCCCOC1CCN(C(=O)CNS(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide;hydrochloride?
The InChIKey is JZGAKRDVGQQFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S2.ClH/c15-6-2-9-21-12-4-7-17(8-5-12)13(18)11-16-23(19,20)14-3-1-10-22-14;/h1,3,10,12,16H,2,4-9,11,15H2;1H.
What are the key properties of N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide;hydrochloride?
N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide;hydrochloride has a molecular weight of 397.95 g/mol, XLogP of 0.80, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 119663314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).