N,2-diethyl-5-ethylsulfonylpentan-1-amine

C11H25NO2S — CID 65097608

IUPACN,2-diethyl-5-ethylsulfonylpentan-1-amine
SMILESCCNCC(CC)CCCS(=O)(=O)CC
InChIInChI=1S/C11H25NO2S/c1-4-11(10-12-5-2)8-7-9-15(13,14)6-3/h11-12H,4-10H2,1-3H3
InChIKeyMFSNKNUSNIYGGR-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.84
Rot. Bonds9

About N,2-diethyl-5-ethylsulfonylpentan-1-amine

N,2-diethyl-5-ethylsulfonylpentan-1-amine (PubChem CID 65097608) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is N,2-diethyl-5-ethylsulfonylpentan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-5-ethylsulfonylpentan-1-amine
PubChem CID65097608
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC NameN,2-diethyl-5-ethylsulfonylpentan-1-amine
SMILESCCNCC(CC)CCCS(=O)(=O)CC
InChIInChI=1S/C11H25NO2S/c1-4-11(10-12-5-2)8-7-9-15(13,14)6-3/h11-12H,4-10H2,1-3H3
InChIKeyMFSNKNUSNIYGGR-UHFFFAOYSA-N
XLogP1.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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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Related Compounds

2-ethyl-5-ethylsulfonyl-N-(2-methoxyethyl)pentan-1-amine
CID 65097077
N,2-diethylhexan-1-amine
CID 14272988
N,2-diethyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106729692
2-ethyl-4-ethylsulfonyl-N-propylbutan-1-amine
CID 62529760
N-ethyl-5-ethylsulfonyl-2-[(2-fluorophenyl)methyl]pentan-1-amine
CID 65097228
N-ethyl-4-methyl-2-(3-methylsulfonylpropyl)pentan-1-amine
CID 63195970
N,2-diethylbutan-1-amine;hydrochloride
CID 171379469
1-bromo-2-(bromomethyl)-5-ethylsulfonylpentane
CID 79453948
3-ethyl-1-(3-ethylheptylsulfonyl)heptane
CID 57030599
N-ethyl-2-methyl-5-methylsulfonylpentan-1-amine
CID 63195916
N-ethyl-5-ethylsulfonyl-2-(2-methylphenyl)pentan-1-amine
CID 79421716
magnesium;2-ethyl-N-(2-ethylhexyl)hexan-1-amine;dichloride
CID 174776336

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-5-ethylsulfonylpentan-1-amine?
The IUPAC name of N,2-diethyl-5-ethylsulfonylpentan-1-amine (CID 65097608) is N,2-diethyl-5-ethylsulfonylpentan-1-amine.
What is the SMILES notation for N,2-diethyl-5-ethylsulfonylpentan-1-amine?
The canonical SMILES for N,2-diethyl-5-ethylsulfonylpentan-1-amine is CCNCC(CC)CCCS(=O)(=O)CC.
What is the InChIKey of N,2-diethyl-5-ethylsulfonylpentan-1-amine?
The InChIKey is MFSNKNUSNIYGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-4-11(10-12-5-2)8-7-9-15(13,14)6-3/h11-12H,4-10H2,1-3H3.
What are the key properties of N,2-diethyl-5-ethylsulfonylpentan-1-amine?
N,2-diethyl-5-ethylsulfonylpentan-1-amine has a molecular weight of 235.39 g/mol, XLogP of 1.84, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-5-ethylsulfonylpentan-1-amine is sourced from PubChem (CID 65097608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).