2-(aminomethyl)-N-(2-ethylsulfanylcyclopentyl)piperidine-1-sulfonamide

C13H27N3O2S2 — CID 106093444

IUPAC2-(aminomethyl)-N-(2-ethylsulfanylcyclopentyl)piperidine-1-sulfonamide
SMILESCCSC1CCCC1NS(=O)(=O)N1CCCCC1CN
InChIInChI=1S/C13H27N3O2S2/c1-2-19-13-8-5-7-12(13)15-20(17,18)16-9-4-3-6-11(16)10-14/h11-13,15H,2-10,14H2,1H3
InChIKeyGGMLJRXYFCJBOA-UHFFFAOYSA-N
MW321.51 g/mol
LogP1.31
Rot. Bonds6

About 2-(aminomethyl)-N-(2-ethylsulfanylcyclopentyl)piperidine-1-sulfonamide

2-(aminomethyl)-N-(2-ethylsulfanylcyclopentyl)piperidine-1-sulfonamide (PubChem CID 106093444) has the molecular formula C13H27N3O2S2 and a molecular weight of 321.51 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-ethylsulfanylcyclopentyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-ethylsulfanylcyclopentyl)piperidine-1-sulfonamide
PubChem CID106093444
Molecular FormulaC13H27N3O2S2
Molecular Weight321.51 g/mol
Exact Mass321.15
IUPAC Name2-(aminomethyl)-N-(2-ethylsulfanylcyclopentyl)piperidine-1-sulfonamide
SMILESCCSC1CCCC1NS(=O)(=O)N1CCCCC1CN
InChIInChI=1S/C13H27N3O2S2/c1-2-19-13-8-5-7-12(13)15-20(17,18)16-9-4-3-6-11(16)10-14/h11-13,15H,2-10,14H2,1H3
InChIKeyGGMLJRXYFCJBOA-UHFFFAOYSA-N
XLogP1.31
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylaminomethyl)-N-(2-methylsulfanylcyclopentyl)piperidine-1-sulfonamide
CID 106091710
2-(methylaminomethyl)-N-(2-methylsulfanylcyclopentyl)piperidine-1-sulfonamide
CID 106091786
2-(aminomethyl)-N-(2-methyloxolan-3-yl)piperidine-1-sulfonamide
CID 114141914
2-(aminomethyl)-N-(1-methylsulfanylpropan-2-yl)piperidine-1-sulfonamide
CID 106079761
2-(aminomethyl)-N-pentylpiperidine-1-sulfonamide
CID 106058322
2-(aminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide
CID 114141978
2-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide
CID 106089816
2-(aminomethyl)-N-(2,3-dihydro-1H-inden-2-yl)piperidine-1-sulfonamide
CID 106087856
N-(3-ethylsulfanylcyclopentyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106091551
2-(aminomethyl)-N-(2,2-difluoroethyl)piperidine-1-sulfonamide
CID 115409106
2-(aminomethyl)-N-[(2-ethylphenyl)methyl]piperidine-1-sulfonamide
CID 106067849
2-(aminomethyl)-N-[2-[ethyl(propyl)amino]ethyl]piperidine-1-sulfonamide
CID 106094240

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-ethylsulfanylcyclopentyl)piperidine-1-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(2-ethylsulfanylcyclopentyl)piperidine-1-sulfonamide (CID 106093444) is 2-(aminomethyl)-N-(2-ethylsulfanylcyclopentyl)piperidine-1-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-ethylsulfanylcyclopentyl)piperidine-1-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-ethylsulfanylcyclopentyl)piperidine-1-sulfonamide is CCSC1CCCC1NS(=O)(=O)N1CCCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-(2-ethylsulfanylcyclopentyl)piperidine-1-sulfonamide?
The InChIKey is GGMLJRXYFCJBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S2/c1-2-19-13-8-5-7-12(13)15-20(17,18)16-9-4-3-6-11(16)10-14/h11-13,15H,2-10,14H2,1H3.
What are the key properties of 2-(aminomethyl)-N-(2-ethylsulfanylcyclopentyl)piperidine-1-sulfonamide?
2-(aminomethyl)-N-(2-ethylsulfanylcyclopentyl)piperidine-1-sulfonamide has a molecular weight of 321.51 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-ethylsulfanylcyclopentyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106093444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).