N-ethyl-2,2-dimethyl-4-propylsulfonylbutan-1-amine

C11H25NO2S — CID 106729808

IUPACN-ethyl-2,2-dimethyl-4-propylsulfonylbutan-1-amine
SMILESCCCS(=O)(=O)CCC(C)(C)CNCC
InChIInChI=1S/C11H25NO2S/c1-5-8-15(13,14)9-7-11(3,4)10-12-6-2/h12H,5-10H2,1-4H3
InChIKeyQGHOUPPTWCHYII-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.84
Rot. Bonds8

About N-ethyl-2,2-dimethyl-4-propylsulfonylbutan-1-amine

N-ethyl-2,2-dimethyl-4-propylsulfonylbutan-1-amine (PubChem CID 106729808) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-4-propylsulfonylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-4-propylsulfonylbutan-1-amine
PubChem CID106729808
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC NameN-ethyl-2,2-dimethyl-4-propylsulfonylbutan-1-amine
SMILESCCCS(=O)(=O)CCC(C)(C)CNCC
InChIInChI=1S/C11H25NO2S/c1-5-8-15(13,14)9-7-11(3,4)10-12-6-2/h12H,5-10H2,1-4H3
InChIKeyQGHOUPPTWCHYII-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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Related Compounds

N-ethyl-4-ethylsulfonyl-2,2-dimethylbutan-1-amine
CID 62724123
4-ethylsulfonyl-2,2-dimethyl-N-propylbutan-1-amine
CID 62724939
4-ethylsulfonyl-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 62726162
1-propylsulfonylpropane
CID 11709
N-tert-butyl-2,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-amine
CID 106730349
2,2-dimethyl-5-propylsulfonylpentan-1-amine
CID 65263142
N-ethyl-3,3-dimethyl-5-methylsulfonylpentan-1-amine
CID 81023264
CID 24984722
CID 24984722
4-chloro-N-(3-ethylsulfonylpropyl)-2,2-dimethylbutan-1-amine
CID 106140512
3-(aminomethyl)-3-methyl-5-propylsulfonylpentan-2-ol
CID 106734029
1-(ethylamino)-4-propylsulfonylbutan-2-one
CID 106736312
N-ethyl-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
CID 112591463

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-4-propylsulfonylbutan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-4-propylsulfonylbutan-1-amine (CID 106729808) is N-ethyl-2,2-dimethyl-4-propylsulfonylbutan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-4-propylsulfonylbutan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-4-propylsulfonylbutan-1-amine is CCCS(=O)(=O)CCC(C)(C)CNCC.
What is the InChIKey of N-ethyl-2,2-dimethyl-4-propylsulfonylbutan-1-amine?
The InChIKey is QGHOUPPTWCHYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-5-8-15(13,14)9-7-11(3,4)10-12-6-2/h12H,5-10H2,1-4H3.
What are the key properties of N-ethyl-2,2-dimethyl-4-propylsulfonylbutan-1-amine?
N-ethyl-2,2-dimethyl-4-propylsulfonylbutan-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-2,2-dimethyl-4-propylsulfonylbutan-1-amine is sourced from PubChem (CID 106729808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).