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

C12H20ClN3O3S2 — CID 119491037

IUPACN-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide;hydrochloride
SMILESCNC1CCCN(C(=O)CNS(=O)(=O)c2cccs2)C1.Cl
InChIInChI=1S/C12H19N3O3S2.ClH/c1-13-10-4-2-6-15(9-10)11(16)8-14-20(17,18)12-5-3-7-19-12;/h3,5,7,10,13-14H,2,4,6,8-9H2,1H3;1H
InChIKeyCSLKDPZQZBSYFP-UHFFFAOYSA-N
MW353.90 g/mol
LogP0.66
Rot. Bonds5

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

N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide;hydrochloride (PubChem CID 119491037) has the molecular formula C12H20ClN3O3S2 and a molecular weight of 353.90 g/mol. Its IUPAC name is N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide;hydrochloride
PubChem CID119491037
Molecular FormulaC12H20ClN3O3S2
Molecular Weight353.90 g/mol
Exact Mass353.06
IUPAC NameN-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide;hydrochloride
SMILESCNC1CCCN(C(=O)CNS(=O)(=O)c2cccs2)C1.Cl
InChIInChI=1S/C12H19N3O3S2.ClH/c1-13-10-4-2-6-15(9-10)11(16)8-14-20(17,18)12-5-3-7-19-12;/h3,5,7,10,13-14H,2,4,6,8-9H2,1H3;1H
InChIKeyCSLKDPZQZBSYFP-UHFFFAOYSA-N
XLogP0.66
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.90
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 39888506
N-(5-chloro-2-pyridinyl)-1-[2-(thiophen-2-ylsulfonylamino)acetyl]piperidine-3-carboxamide
CID 55993702
N-[2-[4-(aminomethyl)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 119423527
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
1-[3-(methylamino)piperidin-1-yl]-4-thiophen-2-ylbutane-1,4-dione;hydrochloride
CID 119487436
N-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 120658921
N-[2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 70766606
N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 112991880
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 22583185
[(3S)-3-(methylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 94475795
N-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide;hydrochloride
CID 120748005
N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide;hydrochloride
CID 119663314

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide;hydrochloride?
The IUPAC name of N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide;hydrochloride (CID 119491037) is N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide;hydrochloride is CNC1CCCN(C(=O)CNS(=O)(=O)c2cccs2)C1.Cl.
What is the InChIKey of N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide;hydrochloride?
The InChIKey is CSLKDPZQZBSYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S2.ClH/c1-13-10-4-2-6-15(9-10)11(16)8-14-20(17,18)12-5-3-7-19-12;/h3,5,7,10,13-14H,2,4,6,8-9H2,1H3;1H.
What are the key properties of N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide;hydrochloride?
N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide;hydrochloride has a molecular weight of 353.90 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 119491037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).