N-(2-tert-butylsulfonylethyl)-1-cyclopropylethanamine

C11H23NO2S — CID 115677017

IUPACN-(2-tert-butylsulfonylethyl)-1-cyclopropylethanamine
SMILESCC(NCCS(=O)(=O)C(C)(C)C)C1CC1
InChIInChI=1S/C11H23NO2S/c1-9(10-5-6-10)12-7-8-15(13,14)11(2,3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyRMTNCJQGYXWHJI-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.59
Rot. Bonds5

About N-(2-tert-butylsulfonylethyl)-1-cyclopropylethanamine

N-(2-tert-butylsulfonylethyl)-1-cyclopropylethanamine (PubChem CID 115677017) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is N-(2-tert-butylsulfonylethyl)-1-cyclopropylethanamine.

Molecular Properties

Compound NameN-(2-tert-butylsulfonylethyl)-1-cyclopropylethanamine
PubChem CID115677017
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC NameN-(2-tert-butylsulfonylethyl)-1-cyclopropylethanamine
SMILESCC(NCCS(=O)(=O)C(C)(C)C)C1CC1
InChIInChI=1S/C11H23NO2S/c1-9(10-5-6-10)12-7-8-15(13,14)11(2,3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyRMTNCJQGYXWHJI-UHFFFAOYSA-N
XLogP1.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-tert-butylsulfonylethyl)-1-(oxan-4-yl)ethanamine
CID 103902201
N-(2-tert-butylsulfonylethyl)-1-(oxolan-2-yl)ethanamine
CID 113423521
(1R)-1-cyclopentyl-N-(2-ethylsulfonylethyl)ethanamine
CID 81394699
(1S)-1-cyclohexyl-N-(2-methylsulfonylethyl)ethanamine
CID 81385111
(1R)-1-cyclohexyl-N-(2-methylsulfonylethyl)ethanamine
CID 81384341
2-(2-tert-butylsulfonylethylamino)-3-methylbutan-1-ol
CID 106723969
2-[2-(1-cyclopropylethylamino)ethylsulfonyl]-N-ethylacetamide
CID 114232524
4-(1-cyclopropylethylamino)butan-2-ol
CID 64911110
N-(2-tert-butylsulfonylethyl)cyclopentanamine
CID 115625751
N-[(1S)-1-cyclopentylethyl]-3-methylsulfonylpropan-1-amine
CID 81395595
1-[1-(2-tert-butylsulfonylethyl)piperidin-3-yl]-N-ethylethanamine
CID 106721484
N-(2-tert-butylsulfonylethyl)-1-chloro-4-methylpentan-3-amine
CID 106353871

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylsulfonylethyl)-1-cyclopropylethanamine?
The IUPAC name of N-(2-tert-butylsulfonylethyl)-1-cyclopropylethanamine (CID 115677017) is N-(2-tert-butylsulfonylethyl)-1-cyclopropylethanamine.
What is the SMILES notation for N-(2-tert-butylsulfonylethyl)-1-cyclopropylethanamine?
The canonical SMILES for N-(2-tert-butylsulfonylethyl)-1-cyclopropylethanamine is CC(NCCS(=O)(=O)C(C)(C)C)C1CC1.
What is the InChIKey of N-(2-tert-butylsulfonylethyl)-1-cyclopropylethanamine?
The InChIKey is RMTNCJQGYXWHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-9(10-5-6-10)12-7-8-15(13,14)11(2,3)4/h9-10,12H,5-8H2,1-4H3.
What are the key properties of N-(2-tert-butylsulfonylethyl)-1-cyclopropylethanamine?
N-(2-tert-butylsulfonylethyl)-1-cyclopropylethanamine has a molecular weight of 233.38 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylsulfonylethyl)-1-cyclopropylethanamine is sourced from PubChem (CID 115677017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).