(1R)-N-(2-tert-butylsulfonylethyl)-1-(2-methylphenyl)ethanamine

C15H25NO2S — CID 106724109

IUPAC(1R)-N-(2-tert-butylsulfonylethyl)-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1[C@@H](C)NCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C15H25NO2S/c1-12-8-6-7-9-14(12)13(2)16-10-11-19(17,18)15(3,4)5/h6-9,13,16H,10-11H2,1-5H3/t13-/m1/s1
InChIKeyCVVLVKPYMSDBSP-CYBMUJFWSA-N
MW283.44 g/mol
LogP2.86
Rot. Bonds5

About (1R)-N-(2-tert-butylsulfonylethyl)-1-(2-methylphenyl)ethanamine

(1R)-N-(2-tert-butylsulfonylethyl)-1-(2-methylphenyl)ethanamine (PubChem CID 106724109) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is (1R)-N-(2-tert-butylsulfonylethyl)-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-(2-tert-butylsulfonylethyl)-1-(2-methylphenyl)ethanamine
PubChem CID106724109
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name(1R)-N-(2-tert-butylsulfonylethyl)-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1[C@@H](C)NCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C15H25NO2S/c1-12-8-6-7-9-14(12)13(2)16-10-11-19(17,18)15(3,4)5/h6-9,13,16H,10-11H2,1-5H3/t13-/m1/s1
InChIKeyCVVLVKPYMSDBSP-CYBMUJFWSA-N
XLogP2.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(2-bromophenyl)-N-(2-tert-butylsulfonylethyl)ethanamine
CID 106724120
N-[(1S)-1-(2-methylphenyl)ethyl]-3-methylsulfonylpropan-1-amine
CID 81375092
3-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]propan-1-amine
CID 65092891
3,3-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]butan-1-amine
CID 81375562
(2R)-4-[[(1R)-1-(2-methylphenyl)ethyl]amino]butan-2-ol
CID 96784262
tert-butyl N-[2-[1-(2-methylphenyl)ethylamino]ethyl]-N-propan-2-ylcarbamate
CID 107245604
3-methoxy-3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]butan-1-amine
CID 103033487
3-[1-(2-methylphenyl)ethylamino]propanoic acid
CID 43087225
N-(2-tert-butylsulfonylethyl)-1-(3-chlorophenyl)ethanamine
CID 103710330
N'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine
CID 60889520
N-[1-(2-methylphenyl)ethyl]pentan-1-amine
CID 43177677
N-(2-methylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 54931550

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(2-tert-butylsulfonylethyl)-1-(2-methylphenyl)ethanamine?
The IUPAC name of (1R)-N-(2-tert-butylsulfonylethyl)-1-(2-methylphenyl)ethanamine (CID 106724109) is (1R)-N-(2-tert-butylsulfonylethyl)-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for (1R)-N-(2-tert-butylsulfonylethyl)-1-(2-methylphenyl)ethanamine?
The canonical SMILES for (1R)-N-(2-tert-butylsulfonylethyl)-1-(2-methylphenyl)ethanamine is Cc1ccccc1[C@@H](C)NCCS(=O)(=O)C(C)(C)C.
What is the InChIKey of (1R)-N-(2-tert-butylsulfonylethyl)-1-(2-methylphenyl)ethanamine?
The InChIKey is CVVLVKPYMSDBSP-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-12-8-6-7-9-14(12)13(2)16-10-11-19(17,18)15(3,4)5/h6-9,13,16H,10-11H2,1-5H3/t13-/m1/s1.
What are the key properties of (1R)-N-(2-tert-butylsulfonylethyl)-1-(2-methylphenyl)ethanamine?
(1R)-N-(2-tert-butylsulfonylethyl)-1-(2-methylphenyl)ethanamine has a molecular weight of 283.44 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(2-tert-butylsulfonylethyl)-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 106724109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).