5-ethylsulfonyl-2,2-dimethylpentan-1-amine

C9H21NO2S — CID 65097335

IUPAC5-ethylsulfonyl-2,2-dimethylpentan-1-amine
SMILESCCS(=O)(=O)CCCC(C)(C)CN
InChIInChI=1S/C9H21NO2S/c1-4-13(11,12)7-5-6-9(2,3)8-10/h4-8,10H2,1-3H3
InChIKeyIIDXALYZTPAEHM-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.19
Rot. Bonds6

About 5-ethylsulfonyl-2,2-dimethylpentan-1-amine

5-ethylsulfonyl-2,2-dimethylpentan-1-amine (PubChem CID 65097335) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is 5-ethylsulfonyl-2,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-ethylsulfonyl-2,2-dimethylpentan-1-amine
PubChem CID65097335
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC Name5-ethylsulfonyl-2,2-dimethylpentan-1-amine
SMILESCCS(=O)(=O)CCCC(C)(C)CN
InChIInChI=1S/C9H21NO2S/c1-4-13(11,12)7-5-6-9(2,3)8-10/h4-8,10H2,1-3H3
InChIKeyIIDXALYZTPAEHM-UHFFFAOYSA-N
XLogP1.19
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-2,2-dimethylpentan-1-amine?
The IUPAC name of 5-ethylsulfonyl-2,2-dimethylpentan-1-amine (CID 65097335) is 5-ethylsulfonyl-2,2-dimethylpentan-1-amine.
What is the SMILES notation for 5-ethylsulfonyl-2,2-dimethylpentan-1-amine?
The canonical SMILES for 5-ethylsulfonyl-2,2-dimethylpentan-1-amine is CCS(=O)(=O)CCCC(C)(C)CN.
What is the InChIKey of 5-ethylsulfonyl-2,2-dimethylpentan-1-amine?
The InChIKey is IIDXALYZTPAEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-4-13(11,12)7-5-6-9(2,3)8-10/h4-8,10H2,1-3H3.
What are the key properties of 5-ethylsulfonyl-2,2-dimethylpentan-1-amine?
5-ethylsulfonyl-2,2-dimethylpentan-1-amine has a molecular weight of 207.34 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-2,2-dimethylpentan-1-amine is sourced from PubChem (CID 65097335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).