2-(ethylaminomethyl)-N-(4-methylsulfanylbutyl)piperidine-1-sulfonamide

C13H29N3O2S2 — CID 106078074

IUPAC2-(ethylaminomethyl)-N-(4-methylsulfanylbutyl)piperidine-1-sulfonamide
SMILESCCNCC1CCCCN1S(=O)(=O)NCCCCSC
InChIInChI=1S/C13H29N3O2S2/c1-3-14-12-13-8-4-6-10-16(13)20(17,18)15-9-5-7-11-19-2/h13-15H,3-12H2,1-2H3
InChIKeyMDWDXMUJQSNZFA-UHFFFAOYSA-N
MW323.53 g/mol
LogP1.43
Rot. Bonds10

About 2-(ethylaminomethyl)-N-(4-methylsulfanylbutyl)piperidine-1-sulfonamide

2-(ethylaminomethyl)-N-(4-methylsulfanylbutyl)piperidine-1-sulfonamide (PubChem CID 106078074) has the molecular formula C13H29N3O2S2 and a molecular weight of 323.53 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-N-(4-methylsulfanylbutyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(ethylaminomethyl)-N-(4-methylsulfanylbutyl)piperidine-1-sulfonamide
PubChem CID106078074
Molecular FormulaC13H29N3O2S2
Molecular Weight323.53 g/mol
Exact Mass323.17
IUPAC Name2-(ethylaminomethyl)-N-(4-methylsulfanylbutyl)piperidine-1-sulfonamide
SMILESCCNCC1CCCCN1S(=O)(=O)NCCCCSC
InChIInChI=1S/C13H29N3O2S2/c1-3-14-12-13-8-4-6-10-16(13)20(17,18)15-9-5-7-11-19-2/h13-15H,3-12H2,1-2H3
InChIKeyMDWDXMUJQSNZFA-UHFFFAOYSA-N
XLogP1.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.53
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylsulfanylbutyl)-2-(propylaminomethyl)piperidine-1-sulfonamide
CID 106078101
N-(4-methylsulfanylbutyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106078191
2-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide
CID 106072179
2-(aminomethyl)-N-pentylpiperidine-1-sulfonamide
CID 106058322
2-(ethylaminomethyl)-N-(2-methylsulfanylcyclopentyl)piperidine-1-sulfonamide
CID 106091710
2-(ethylaminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide
CID 106046357
N-[(1-piperidin-1-ylsulfonylpiperidin-2-yl)methyl]ethanamine
CID 63877744
2-(ethylaminomethyl)-N-(1,2-oxazol-3-ylmethyl)piperidine-1-sulfonamide
CID 81174553
N-[[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)piperidin-2-yl]methyl]ethanamine
CID 115562927
2-(hydroxymethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide
CID 114134652
N-(2,2-difluoroethyl)-2-(propylaminomethyl)piperidine-1-sulfonamide
CID 115409161
N-(1-methylsulfanylbutan-2-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide
CID 106083879

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-N-(4-methylsulfanylbutyl)piperidine-1-sulfonamide?
The IUPAC name of 2-(ethylaminomethyl)-N-(4-methylsulfanylbutyl)piperidine-1-sulfonamide (CID 106078074) is 2-(ethylaminomethyl)-N-(4-methylsulfanylbutyl)piperidine-1-sulfonamide.
What is the SMILES notation for 2-(ethylaminomethyl)-N-(4-methylsulfanylbutyl)piperidine-1-sulfonamide?
The canonical SMILES for 2-(ethylaminomethyl)-N-(4-methylsulfanylbutyl)piperidine-1-sulfonamide is CCNCC1CCCCN1S(=O)(=O)NCCCCSC.
What is the InChIKey of 2-(ethylaminomethyl)-N-(4-methylsulfanylbutyl)piperidine-1-sulfonamide?
The InChIKey is MDWDXMUJQSNZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2S2/c1-3-14-12-13-8-4-6-10-16(13)20(17,18)15-9-5-7-11-19-2/h13-15H,3-12H2,1-2H3.
What are the key properties of 2-(ethylaminomethyl)-N-(4-methylsulfanylbutyl)piperidine-1-sulfonamide?
2-(ethylaminomethyl)-N-(4-methylsulfanylbutyl)piperidine-1-sulfonamide has a molecular weight of 323.53 g/mol, XLogP of 1.43, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-N-(4-methylsulfanylbutyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106078074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).