2-(ethylaminomethyl)-N-(2-methylsulfanylcyclopentyl)piperidine-1-sulfonamide

C14H29N3O2S2 — CID 106091710

IUPAC2-(ethylaminomethyl)-N-(2-methylsulfanylcyclopentyl)piperidine-1-sulfonamide
SMILESCCNCC1CCCCN1S(=O)(=O)NC1CCCC1SC
InChIInChI=1S/C14H29N3O2S2/c1-3-15-11-12-7-4-5-10-17(12)21(18,19)16-13-8-6-9-14(13)20-2/h12-16H,3-11H2,1-2H3
InChIKeyAYSWWOHUEILPPW-UHFFFAOYSA-N
MW335.54 g/mol
LogP1.57
Rot. Bonds7

About 2-(ethylaminomethyl)-N-(2-methylsulfanylcyclopentyl)piperidine-1-sulfonamide

2-(ethylaminomethyl)-N-(2-methylsulfanylcyclopentyl)piperidine-1-sulfonamide (PubChem CID 106091710) has the molecular formula C14H29N3O2S2 and a molecular weight of 335.54 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-N-(2-methylsulfanylcyclopentyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(ethylaminomethyl)-N-(2-methylsulfanylcyclopentyl)piperidine-1-sulfonamide
PubChem CID106091710
Molecular FormulaC14H29N3O2S2
Molecular Weight335.54 g/mol
Exact Mass335.17
IUPAC Name2-(ethylaminomethyl)-N-(2-methylsulfanylcyclopentyl)piperidine-1-sulfonamide
SMILESCCNCC1CCCCN1S(=O)(=O)NC1CCCC1SC
InChIInChI=1S/C14H29N3O2S2/c1-3-15-11-12-7-4-5-10-17(12)21(18,19)16-13-8-6-9-14(13)20-2/h12-16H,3-11H2,1-2H3
InChIKeyAYSWWOHUEILPPW-UHFFFAOYSA-N
XLogP1.57
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.54
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylaminomethyl)-N-(2-methylsulfanylcyclopentyl)piperidine-1-sulfonamide
CID 106091786
2-(aminomethyl)-N-(2-ethylsulfanylcyclopentyl)piperidine-1-sulfonamide
CID 106093444
N-[[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)piperidin-2-yl]methyl]ethanamine
CID 115562927
2-(ethylaminomethyl)-N-(4-methylsulfanylbutyl)piperidine-1-sulfonamide
CID 106078074
2-(ethylaminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide
CID 106046357
N-[(1-piperidin-1-ylsulfonylpiperidin-2-yl)methyl]ethanamine
CID 63877744
2-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide
CID 106089752
N-(2-methyloxolan-3-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide
CID 106076225
2-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide
CID 106072179
2-(ethylaminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)piperidine-1-sulfonamide
CID 106068725
N-(1-methylsulfanylbutan-2-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide
CID 106083879
N-(3-methylcyclopentyl)-2-(propylaminomethyl)piperidine-1-sulfonamide
CID 114551988

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-N-(2-methylsulfanylcyclopentyl)piperidine-1-sulfonamide?
The IUPAC name of 2-(ethylaminomethyl)-N-(2-methylsulfanylcyclopentyl)piperidine-1-sulfonamide (CID 106091710) is 2-(ethylaminomethyl)-N-(2-methylsulfanylcyclopentyl)piperidine-1-sulfonamide.
What is the SMILES notation for 2-(ethylaminomethyl)-N-(2-methylsulfanylcyclopentyl)piperidine-1-sulfonamide?
The canonical SMILES for 2-(ethylaminomethyl)-N-(2-methylsulfanylcyclopentyl)piperidine-1-sulfonamide is CCNCC1CCCCN1S(=O)(=O)NC1CCCC1SC.
What is the InChIKey of 2-(ethylaminomethyl)-N-(2-methylsulfanylcyclopentyl)piperidine-1-sulfonamide?
The InChIKey is AYSWWOHUEILPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S2/c1-3-15-11-12-7-4-5-10-17(12)21(18,19)16-13-8-6-9-14(13)20-2/h12-16H,3-11H2,1-2H3.
What are the key properties of 2-(ethylaminomethyl)-N-(2-methylsulfanylcyclopentyl)piperidine-1-sulfonamide?
2-(ethylaminomethyl)-N-(2-methylsulfanylcyclopentyl)piperidine-1-sulfonamide has a molecular weight of 335.54 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-N-(2-methylsulfanylcyclopentyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106091710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).