2-(aminomethyl)-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-sulfonamide

C13H23N3O3S — CID 106003416

IUPAC2-(aminomethyl)-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-sulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)N2CCCCC2CN)o1
InChIInChI=1S/C13H23N3O3S/c1-10-6-7-13(19-10)11(2)15-20(17,18)16-8-4-3-5-12(16)9-14/h6-7,11-12,15H,3-5,8-9,14H2,1-2H3
InChIKeyYQZTYQUFACKYCX-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.30
Rot. Bonds5

About 2-(aminomethyl)-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-sulfonamide

2-(aminomethyl)-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-sulfonamide (PubChem CID 106003416) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-sulfonamide
PubChem CID106003416
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name2-(aminomethyl)-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-sulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)N2CCCCC2CN)o1
InChIInChI=1S/C13H23N3O3S/c1-10-6-7-13(19-10)11(2)15-20(17,18)16-8-4-3-5-12(16)9-14/h6-7,11-12,15H,3-5,8-9,14H2,1-2H3
InChIKeyYQZTYQUFACKYCX-UHFFFAOYSA-N
XLogP1.30
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(1-phenylethyl)piperidine-1-sulfonamide
CID 106036389
N-[(1S)-1-(5-methylfuran-2-yl)ethyl]azepane-1-sulfonamide
CID 30288270
2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-sulfonamide
CID 106218544
2-(aminomethyl)-N-(1-methylsulfanylpropan-2-yl)piperidine-1-sulfonamide
CID 106079761
2-(aminomethyl)-N-(4-ethoxyphenyl)piperidine-1-sulfonamide
CID 106045444
2-(aminomethyl)-N-(2,3-dihydro-1H-inden-2-yl)piperidine-1-sulfonamide
CID 106087856
2-(aminomethyl)-N-(4-propylphenyl)piperidine-1-sulfonamide
CID 106026481
2-(aminomethyl)-N-(4-methoxy-3-methylphenyl)piperidine-1-sulfonamide
CID 106053297
(2R,6R)-2,6-dimethyl-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]morpholine-4-sulfonamide
CID 51930251
2-(aminomethyl)-N-thiophen-3-ylpiperidine-1-sulfonamide
CID 114141613
2-(aminomethyl)-N-[1-(1H-imidazol-2-yl)propyl]piperidine-1-sulfonamide
CID 106083491
2-(aminomethyl)-N-[(2-ethylphenyl)methyl]piperidine-1-sulfonamide
CID 106067849

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-sulfonamide (CID 106003416) is 2-(aminomethyl)-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-sulfonamide is Cc1ccc(C(C)NS(=O)(=O)N2CCCCC2CN)o1.
What is the InChIKey of 2-(aminomethyl)-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-sulfonamide?
The InChIKey is YQZTYQUFACKYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-10-6-7-13(19-10)11(2)15-20(17,18)16-8-4-3-5-12(16)9-14/h6-7,11-12,15H,3-5,8-9,14H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-sulfonamide?
2-(aminomethyl)-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-sulfonamide has a molecular weight of 301.41 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 106003416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).