5-ethylsulfonyl-N-methyl-1-pyridin-2-ylpentan-2-amine

C13H22N2O2S — CID 65096002

IUPAC5-ethylsulfonyl-N-methyl-1-pyridin-2-ylpentan-2-amine
SMILESCCS(=O)(=O)CCCC(Cc1ccccn1)NC
InChIInChI=1S/C13H22N2O2S/c1-3-18(16,17)10-6-8-12(14-2)11-13-7-4-5-9-15-13/h4-5,7,9,12,14H,3,6,8,10-11H2,1-2H3
InChIKeyCNDXGPQWRVZQIR-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.43
Rot. Bonds8

About 5-ethylsulfonyl-N-methyl-1-pyridin-2-ylpentan-2-amine

5-ethylsulfonyl-N-methyl-1-pyridin-2-ylpentan-2-amine (PubChem CID 65096002) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 5-ethylsulfonyl-N-methyl-1-pyridin-2-ylpentan-2-amine.

Molecular Properties

Compound Name5-ethylsulfonyl-N-methyl-1-pyridin-2-ylpentan-2-amine
PubChem CID65096002
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name5-ethylsulfonyl-N-methyl-1-pyridin-2-ylpentan-2-amine
SMILESCCS(=O)(=O)CCCC(Cc1ccccn1)NC
InChIInChI=1S/C13H22N2O2S/c1-3-18(16,17)10-6-8-12(14-2)11-13-7-4-5-9-15-13/h4-5,7,9,12,14H,3,6,8,10-11H2,1-2H3
InChIKeyCNDXGPQWRVZQIR-UHFFFAOYSA-N
XLogP1.43
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-ethylsulfonyl-N-methyl-1-pyridin-2-ylpentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethylsulfonyl-N-methyl-1-(2-methylphenyl)pentan-2-amine
CID 65095703
5-ethylsulfonyl-N-methyl-1-(4-methylphenyl)pentan-2-amine
CID 65095558
1-(5-ethyl-2-pyridinyl)-N-methyl-4-pyridin-2-ylbutan-2-amine
CID 105168957
1-(benzimidazol-1-yl)-5-ethylsulfonyl-N-methylpentan-2-amine
CID 105152492
(6-methylsulfonyl-1-pyridin-2-ylhexan-3-yl)hydrazine
CID 105290925
1-pyridin-2-ylpentan-2-ylhydrazine
CID 105199777
4-ethylsulfonyl-N-methyl-1-(3-methyl-2-pyridinyl)butan-1-amine
CID 65095905
4-ethylsulfonyl-N-propyl-1-pyridin-2-ylbutan-1-amine
CID 65095498
(5-ethoxy-1-pyridin-2-ylpentan-2-yl)hydrazine
CID 105315317
1-(1,3-benzothiazol-2-yl)-N-methyl-3-pyridin-2-ylpropan-2-amine
CID 79818939
N-methyl-1-pyridin-2-yl-3-thiophen-3-ylpropan-2-amine
CID 62601722
N-methyl-1-pyridin-2-yloct-7-yn-3-amine
CID 105179646

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-N-methyl-1-pyridin-2-ylpentan-2-amine?
The IUPAC name of 5-ethylsulfonyl-N-methyl-1-pyridin-2-ylpentan-2-amine (CID 65096002) is 5-ethylsulfonyl-N-methyl-1-pyridin-2-ylpentan-2-amine.
What is the SMILES notation for 5-ethylsulfonyl-N-methyl-1-pyridin-2-ylpentan-2-amine?
The canonical SMILES for 5-ethylsulfonyl-N-methyl-1-pyridin-2-ylpentan-2-amine is CCS(=O)(=O)CCCC(Cc1ccccn1)NC.
What is the InChIKey of 5-ethylsulfonyl-N-methyl-1-pyridin-2-ylpentan-2-amine?
The InChIKey is CNDXGPQWRVZQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-3-18(16,17)10-6-8-12(14-2)11-13-7-4-5-9-15-13/h4-5,7,9,12,14H,3,6,8,10-11H2,1-2H3.
What are the key properties of 5-ethylsulfonyl-N-methyl-1-pyridin-2-ylpentan-2-amine?
5-ethylsulfonyl-N-methyl-1-pyridin-2-ylpentan-2-amine has a molecular weight of 270.40 g/mol, XLogP of 1.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-N-methyl-1-pyridin-2-ylpentan-2-amine is sourced from PubChem (CID 65096002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).