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

C11H25NO2S — CID 65097557

IUPACN-ethyl-5-ethylsulfonyl-2,2-dimethylpentan-1-amine
SMILESCCNCC(C)(C)CCCS(=O)(=O)CC
InChIInChI=1S/C11H25NO2S/c1-5-12-10-11(3,4)8-7-9-15(13,14)6-2/h12H,5-10H2,1-4H3
InChIKeySCSCRXANKJDENP-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.84
Rot. Bonds8

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

N-ethyl-5-ethylsulfonyl-2,2-dimethylpentan-1-amine (PubChem CID 65097557) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is N-ethyl-5-ethylsulfonyl-2,2-dimethylpentan-1-amine.

Molecular Properties

Compound NameN-ethyl-5-ethylsulfonyl-2,2-dimethylpentan-1-amine
PubChem CID65097557
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC NameN-ethyl-5-ethylsulfonyl-2,2-dimethylpentan-1-amine
SMILESCCNCC(C)(C)CCCS(=O)(=O)CC
InChIInChI=1S/C11H25NO2S/c1-5-12-10-11(3,4)8-7-9-15(13,14)6-2/h12H,5-10H2,1-4H3
InChIKeySCSCRXANKJDENP-UHFFFAOYSA-N
XLogP1.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-ethylsulfonyl-2,2-dimethylpentan-1-amine?
The IUPAC name of N-ethyl-5-ethylsulfonyl-2,2-dimethylpentan-1-amine (CID 65097557) is N-ethyl-5-ethylsulfonyl-2,2-dimethylpentan-1-amine.
What is the SMILES notation for N-ethyl-5-ethylsulfonyl-2,2-dimethylpentan-1-amine?
The canonical SMILES for N-ethyl-5-ethylsulfonyl-2,2-dimethylpentan-1-amine is CCNCC(C)(C)CCCS(=O)(=O)CC.
What is the InChIKey of N-ethyl-5-ethylsulfonyl-2,2-dimethylpentan-1-amine?
The InChIKey is SCSCRXANKJDENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-5-12-10-11(3,4)8-7-9-15(13,14)6-2/h12H,5-10H2,1-4H3.
What are the key properties of N-ethyl-5-ethylsulfonyl-2,2-dimethylpentan-1-amine?
N-ethyl-5-ethylsulfonyl-2,2-dimethylpentan-1-amine has a molecular weight of 235.39 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-ethylsulfonyl-2,2-dimethylpentan-1-amine is sourced from PubChem (CID 65097557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).