3-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)piperidine-1-sulfonamide

C14H25N3O2S2 — CID 106053452

IUPAC3-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)piperidine-1-sulfonamide
SMILESCCC(NS(=O)(=O)N1CCCC(CNC)C1)c1cccs1
InChIInChI=1S/C14H25N3O2S2/c1-3-13(14-7-5-9-20-14)16-21(18,19)17-8-4-6-12(11-17)10-15-2/h5,7,9,12-13,15-16H,3-4,6,8,10-11H2,1-2H3
InChIKeyHJYNZOGJQBIFGM-UHFFFAOYSA-N
MW331.51 g/mol
LogP1.97
Rot. Bonds7

About 3-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)piperidine-1-sulfonamide

3-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)piperidine-1-sulfonamide (PubChem CID 106053452) has the molecular formula C14H25N3O2S2 and a molecular weight of 331.51 g/mol. Its IUPAC name is 3-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)piperidine-1-sulfonamide
PubChem CID106053452
Molecular FormulaC14H25N3O2S2
Molecular Weight331.51 g/mol
Exact Mass331.14
IUPAC Name3-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)piperidine-1-sulfonamide
SMILESCCC(NS(=O)(=O)N1CCCC(CNC)C1)c1cccs1
InChIInChI=1S/C14H25N3O2S2/c1-3-13(14-7-5-9-20-14)16-21(18,19)17-8-4-6-12(11-17)10-15-2/h5,7,9,12-13,15-16H,3-4,6,8,10-11H2,1-2H3
InChIKeyHJYNZOGJQBIFGM-UHFFFAOYSA-N
XLogP1.97
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-thiophen-2-ylpropyl)pyrrolidine-1-sulfonamide
CID 131924146
4-methoxy-N-(1-thiophen-2-ylpropyl)piperidine-1-sulfonamide
CID 131905448
N-(1-thiophen-2-ylpropyl)morpholine-4-sulfonamide
CID 47306222
3-(methylaminomethyl)-N-(1-pyridin-4-ylethyl)piperidine-1-sulfonamide
CID 106022034
N-(1-cyclopropylbutan-2-yl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106063964
N-[1-(diethylamino)propan-2-yl]-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106052235
1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine
CID 61205850
N-(2-bromophenyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106061253
N-(2-phenyl-1-thiophen-2-ylethyl)pyrrolidine-1-sulfonamide
CID 176725551
1-[(3S)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 124684745
N-(1-thiophen-2-ylpropyl)ethanesulfonamide
CID 47372817
N-[(4-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106023332

Frequently Asked Questions

What is the IUPAC name of 3-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)piperidine-1-sulfonamide?
The IUPAC name of 3-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)piperidine-1-sulfonamide (CID 106053452) is 3-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)piperidine-1-sulfonamide.
What is the SMILES notation for 3-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)piperidine-1-sulfonamide?
The canonical SMILES for 3-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)piperidine-1-sulfonamide is CCC(NS(=O)(=O)N1CCCC(CNC)C1)c1cccs1.
What is the InChIKey of 3-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)piperidine-1-sulfonamide?
The InChIKey is HJYNZOGJQBIFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S2/c1-3-13(14-7-5-9-20-14)16-21(18,19)17-8-4-6-12(11-17)10-15-2/h5,7,9,12-13,15-16H,3-4,6,8,10-11H2,1-2H3.
What are the key properties of 3-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)piperidine-1-sulfonamide?
3-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)piperidine-1-sulfonamide has a molecular weight of 331.51 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106053452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).