N-(2-tert-butylsulfonylethyl)-1-methoxybutan-2-amine

C11H25NO3S — CID 115889765

IUPACN-(2-tert-butylsulfonylethyl)-1-methoxybutan-2-amine
SMILESCCC(COC)NCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H25NO3S/c1-6-10(9-15-5)12-7-8-16(13,14)11(2,3)4/h10,12H,6-9H2,1-5H3
InChIKeyFRPLVKKVBNOAHE-UHFFFAOYSA-N
MW251.39 g/mol
LogP1.21
Rot. Bonds7

About N-(2-tert-butylsulfonylethyl)-1-methoxybutan-2-amine

N-(2-tert-butylsulfonylethyl)-1-methoxybutan-2-amine (PubChem CID 115889765) has the molecular formula C11H25NO3S and a molecular weight of 251.39 g/mol. Its IUPAC name is N-(2-tert-butylsulfonylethyl)-1-methoxybutan-2-amine.

Molecular Properties

Compound NameN-(2-tert-butylsulfonylethyl)-1-methoxybutan-2-amine
PubChem CID115889765
Molecular FormulaC11H25NO3S
Molecular Weight251.39 g/mol
Exact Mass251.16
IUPAC NameN-(2-tert-butylsulfonylethyl)-1-methoxybutan-2-amine
SMILESCCC(COC)NCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H25NO3S/c1-6-10(9-15-5)12-7-8-16(13,14)11(2,3)4/h10,12H,6-9H2,1-5H3
InChIKeyFRPLVKKVBNOAHE-UHFFFAOYSA-N
XLogP1.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(2-tert-butylsulfonylethyl)-1-methoxy-2-methylpropan-2-amine
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N-(2-methylsulfonylethyl)pentan-3-amine
CID 60711918
1-tert-butylsulfonyl-N-propylheptan-4-amine
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CID 107508592
1-methoxy-3-pentylsulfonyl-N-propylpropan-2-amine
CID 107758651
2-(2-tert-butylsulfonylethylamino)-3-methylbutan-1-ol
CID 106723969
N-(1-methoxybutan-2-yl)-2,2,4-trimethylpentan-1-amine
CID 115892885
N-(2-tert-butylsulfonylethyl)-1-cyclopropylethanamine
CID 115677017
2-(methoxymethylsulfonyl)-2-methylpropane
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CID 106068224

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylsulfonylethyl)-1-methoxybutan-2-amine?
The IUPAC name of N-(2-tert-butylsulfonylethyl)-1-methoxybutan-2-amine (CID 115889765) is N-(2-tert-butylsulfonylethyl)-1-methoxybutan-2-amine.
What is the SMILES notation for N-(2-tert-butylsulfonylethyl)-1-methoxybutan-2-amine?
The canonical SMILES for N-(2-tert-butylsulfonylethyl)-1-methoxybutan-2-amine is CCC(COC)NCCS(=O)(=O)C(C)(C)C.
What is the InChIKey of N-(2-tert-butylsulfonylethyl)-1-methoxybutan-2-amine?
The InChIKey is FRPLVKKVBNOAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3S/c1-6-10(9-15-5)12-7-8-16(13,14)11(2,3)4/h10,12H,6-9H2,1-5H3.
What are the key properties of N-(2-tert-butylsulfonylethyl)-1-methoxybutan-2-amine?
N-(2-tert-butylsulfonylethyl)-1-methoxybutan-2-amine has a molecular weight of 251.39 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylsulfonylethyl)-1-methoxybutan-2-amine is sourced from PubChem (CID 115889765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).