N-ethyl-5-ethylsulfonyl-1-methoxypentan-2-amine

C10H23NO3S — CID 62318914

IUPACN-ethyl-5-ethylsulfonyl-1-methoxypentan-2-amine
SMILESCCNC(CCCS(=O)(=O)CC)COC
InChIInChI=1S/C10H23NO3S/c1-4-11-10(9-14-3)7-6-8-15(12,13)5-2/h10-11H,4-9H2,1-3H3
InChIKeyIGAIEPDZOGMAMI-UHFFFAOYSA-N
MW237.36 g/mol
LogP0.83
Rot. Bonds9

About N-ethyl-5-ethylsulfonyl-1-methoxypentan-2-amine

N-ethyl-5-ethylsulfonyl-1-methoxypentan-2-amine (PubChem CID 62318914) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is N-ethyl-5-ethylsulfonyl-1-methoxypentan-2-amine.

Molecular Properties

Compound NameN-ethyl-5-ethylsulfonyl-1-methoxypentan-2-amine
PubChem CID62318914
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC NameN-ethyl-5-ethylsulfonyl-1-methoxypentan-2-amine
SMILESCCNC(CCCS(=O)(=O)CC)COC
InChIInChI=1S/C10H23NO3S/c1-4-11-10(9-14-3)7-6-8-15(12,13)5-2/h10-11H,4-9H2,1-3H3
InChIKeyIGAIEPDZOGMAMI-UHFFFAOYSA-N
XLogP0.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-ethylsulfonyl-1-methoxypentan-2-amine?
The IUPAC name of N-ethyl-5-ethylsulfonyl-1-methoxypentan-2-amine (CID 62318914) is N-ethyl-5-ethylsulfonyl-1-methoxypentan-2-amine.
What is the SMILES notation for N-ethyl-5-ethylsulfonyl-1-methoxypentan-2-amine?
The canonical SMILES for N-ethyl-5-ethylsulfonyl-1-methoxypentan-2-amine is CCNC(CCCS(=O)(=O)CC)COC.
What is the InChIKey of N-ethyl-5-ethylsulfonyl-1-methoxypentan-2-amine?
The InChIKey is IGAIEPDZOGMAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-4-11-10(9-14-3)7-6-8-15(12,13)5-2/h10-11H,4-9H2,1-3H3.
What are the key properties of N-ethyl-5-ethylsulfonyl-1-methoxypentan-2-amine?
N-ethyl-5-ethylsulfonyl-1-methoxypentan-2-amine has a molecular weight of 237.36 g/mol, XLogP of 0.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-ethylsulfonyl-1-methoxypentan-2-amine is sourced from PubChem (CID 62318914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).