2-(aminomethyl)-N-thiophen-3-ylpiperidine-1-sulfonamide

C10H17N3O2S2 — CID 114141613

IUPAC2-(aminomethyl)-N-thiophen-3-ylpiperidine-1-sulfonamide
SMILESNCC1CCCCN1S(=O)(=O)Nc1ccsc1
InChIInChI=1S/C10H17N3O2S2/c11-7-10-3-1-2-5-13(10)17(14,15)12-9-4-6-16-8-9/h4,6,8,10,12H,1-3,5,7,11H2
InChIKeyNEEXGEKBYGMNER-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.22
Rot. Bonds4

About 2-(aminomethyl)-N-thiophen-3-ylpiperidine-1-sulfonamide

2-(aminomethyl)-N-thiophen-3-ylpiperidine-1-sulfonamide (PubChem CID 114141613) has the molecular formula C10H17N3O2S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-thiophen-3-ylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-thiophen-3-ylpiperidine-1-sulfonamide
PubChem CID114141613
Molecular FormulaC10H17N3O2S2
Molecular Weight275.40 g/mol
Exact Mass275.08
IUPAC Name2-(aminomethyl)-N-thiophen-3-ylpiperidine-1-sulfonamide
SMILESNCC1CCCCN1S(=O)(=O)Nc1ccsc1
InChIInChI=1S/C10H17N3O2S2/c11-7-10-3-1-2-5-13(10)17(14,15)12-9-4-6-16-8-9/h4,6,8,10,12H,1-3,5,7,11H2
InChIKeyNEEXGEKBYGMNER-UHFFFAOYSA-N
XLogP1.22
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(4-propylphenyl)piperidine-1-sulfonamide
CID 106026481
2-(aminomethyl)-N-(4-ethoxyphenyl)piperidine-1-sulfonamide
CID 106045444
2-(aminomethyl)-N-(1,3-benzodioxol-5-yl)piperidine-1-sulfonamide
CID 106023964
2-(aminomethyl)-N-(4-methoxy-3-methylphenyl)piperidine-1-sulfonamide
CID 106053297
2-(aminomethyl)-N-(2,4,5-trichlorophenyl)piperidine-1-sulfonamide
CID 106057730
2-(aminomethyl)-N-(1-phenylethyl)piperidine-1-sulfonamide
CID 106036389
2-(aminomethyl)-N-(2,3-dihydro-1H-inden-2-yl)piperidine-1-sulfonamide
CID 106087856
2-(aminomethyl)-N-(3-fluoro-4-pyridinyl)piperidine-1-sulfonamide
CID 106090138
2-(aminomethyl)-N-(4-bromo-2-chlorophenyl)piperidine-1-sulfonamide
CID 106030556
2-(aminomethyl)-N-(2-bromo-6-fluorophenyl)piperidine-1-sulfonamide
CID 106089660
2-(aminomethyl)-N-(2-ethoxyphenyl)piperidine-1-sulfonamide
CID 106048934
2-(aminomethyl)-N-(2,3,5-trifluorophenyl)piperidine-1-sulfonamide
CID 106056268

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-thiophen-3-ylpiperidine-1-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-thiophen-3-ylpiperidine-1-sulfonamide (CID 114141613) is 2-(aminomethyl)-N-thiophen-3-ylpiperidine-1-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-thiophen-3-ylpiperidine-1-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-thiophen-3-ylpiperidine-1-sulfonamide is NCC1CCCCN1S(=O)(=O)Nc1ccsc1.
What is the InChIKey of 2-(aminomethyl)-N-thiophen-3-ylpiperidine-1-sulfonamide?
The InChIKey is NEEXGEKBYGMNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S2/c11-7-10-3-1-2-5-13(10)17(14,15)12-9-4-6-16-8-9/h4,6,8,10,12H,1-3,5,7,11H2.
What are the key properties of 2-(aminomethyl)-N-thiophen-3-ylpiperidine-1-sulfonamide?
2-(aminomethyl)-N-thiophen-3-ylpiperidine-1-sulfonamide has a molecular weight of 275.40 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-thiophen-3-ylpiperidine-1-sulfonamide is sourced from PubChem (CID 114141613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).