4-methoxy-N-(1-thiophen-2-ylpropyl)piperidine-1-sulfonamide

C13H22N2O3S2 — CID 131905448

IUPAC4-methoxy-N-(1-thiophen-2-ylpropyl)piperidine-1-sulfonamide
SMILESCCC(NS(=O)(=O)N1CCC(OC)CC1)c1cccs1
InChIInChI=1S/C13H22N2O3S2/c1-3-12(13-5-4-10-19-13)14-20(16,17)15-8-6-11(18-2)7-9-15/h4-5,10-12,14H,3,6-9H2,1-2H3
InChIKeyCYCZZMZFMZWEHA-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.14
Rot. Bonds6

About 4-methoxy-N-(1-thiophen-2-ylpropyl)piperidine-1-sulfonamide

4-methoxy-N-(1-thiophen-2-ylpropyl)piperidine-1-sulfonamide (PubChem CID 131905448) has the molecular formula C13H22N2O3S2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 4-methoxy-N-(1-thiophen-2-ylpropyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(1-thiophen-2-ylpropyl)piperidine-1-sulfonamide
PubChem CID131905448
Molecular FormulaC13H22N2O3S2
Molecular Weight318.46 g/mol
Exact Mass318.11
IUPAC Name4-methoxy-N-(1-thiophen-2-ylpropyl)piperidine-1-sulfonamide
SMILESCCC(NS(=O)(=O)N1CCC(OC)CC1)c1cccs1
InChIInChI=1S/C13H22N2O3S2/c1-3-12(13-5-4-10-19-13)14-20(16,17)15-8-6-11(18-2)7-9-15/h4-5,10-12,14H,3,6-9H2,1-2H3
InChIKeyCYCZZMZFMZWEHA-UHFFFAOYSA-N
XLogP2.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-thiophen-2-ylpropyl)pyrrolidine-1-sulfonamide
CID 131924146
N-(1-thiophen-2-ylpropyl)morpholine-4-sulfonamide
CID 47306222
3-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)piperidine-1-sulfonamide
CID 106053452
N-(1-thiophen-2-ylpropyl)ethanesulfonamide
CID 47372817
2-[1-(sulfamoylamino)propyl]thiophene
CID 112686147
N-(2-phenyl-1-thiophen-2-ylethyl)pyrrolidine-1-sulfonamide
CID 176725551
4-methoxy-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine
CID 113414380
N-[cyclopropyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 54983030
1-(cyclopropylamino)-N-(1-thiophen-2-ylpropyl)propane-2-sulfonamide
CID 106053417
2-[(2R)-oxolan-2-yl]-N-[(1R)-1-thiophen-2-ylpropyl]ethanesulfonamide
CID 97096482
N-[cyclopentyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43740511
(3R,4R)-3-methoxy-4-methyl-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide
CID 129431123

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(1-thiophen-2-ylpropyl)piperidine-1-sulfonamide?
The IUPAC name of 4-methoxy-N-(1-thiophen-2-ylpropyl)piperidine-1-sulfonamide (CID 131905448) is 4-methoxy-N-(1-thiophen-2-ylpropyl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-methoxy-N-(1-thiophen-2-ylpropyl)piperidine-1-sulfonamide?
The canonical SMILES for 4-methoxy-N-(1-thiophen-2-ylpropyl)piperidine-1-sulfonamide is CCC(NS(=O)(=O)N1CCC(OC)CC1)c1cccs1.
What is the InChIKey of 4-methoxy-N-(1-thiophen-2-ylpropyl)piperidine-1-sulfonamide?
The InChIKey is CYCZZMZFMZWEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S2/c1-3-12(13-5-4-10-19-13)14-20(16,17)15-8-6-11(18-2)7-9-15/h4-5,10-12,14H,3,6-9H2,1-2H3.
What are the key properties of 4-methoxy-N-(1-thiophen-2-ylpropyl)piperidine-1-sulfonamide?
4-methoxy-N-(1-thiophen-2-ylpropyl)piperidine-1-sulfonamide has a molecular weight of 318.46 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(1-thiophen-2-ylpropyl)piperidine-1-sulfonamide is sourced from PubChem (CID 131905448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).