2-tert-butylsulfonyl-N-[(2-ethylphenyl)methyl]ethanamine

C15H25NO2S — CID 106723822

IUPAC2-tert-butylsulfonyl-N-[(2-ethylphenyl)methyl]ethanamine
SMILESCCc1ccccc1CNCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C15H25NO2S/c1-5-13-8-6-7-9-14(13)12-16-10-11-19(17,18)15(2,3)4/h6-9,16H,5,10-12H2,1-4H3
InChIKeyYAYZVHQSMACHPN-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.55
Rot. Bonds6

About 2-tert-butylsulfonyl-N-[(2-ethylphenyl)methyl]ethanamine

2-tert-butylsulfonyl-N-[(2-ethylphenyl)methyl]ethanamine (PubChem CID 106723822) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 2-tert-butylsulfonyl-N-[(2-ethylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-tert-butylsulfonyl-N-[(2-ethylphenyl)methyl]ethanamine
PubChem CID106723822
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name2-tert-butylsulfonyl-N-[(2-ethylphenyl)methyl]ethanamine
SMILESCCc1ccccc1CNCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C15H25NO2S/c1-5-13-8-6-7-9-14(13)12-16-10-11-19(17,18)15(2,3)4/h6-9,16H,5,10-12H2,1-4H3
InChIKeyYAYZVHQSMACHPN-UHFFFAOYSA-N
XLogP2.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-tert-butyl-N-[(2-ethylphenyl)methyl]ethane-1,2-diamine
CID 113405413
N-[[2-(2-tert-butylsulfonylethoxy)phenyl]methyl]ethanamine
CID 106721979
N-[2-[(2-ethylphenyl)methylamino]ethyl]methanesulfonamide
CID 62392443
2-tert-butylsulfonyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine
CID 103893977
2-tert-butylsulfonyl-N-(thiophen-2-ylmethyl)ethanamine
CID 115625748
N-[(2-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 62392429
N-(2-tert-butylsulfonylethyl)-2-(chloromethyl)aniline
CID 106730990
N-[(2-ethylphenyl)methyl]-4,4,4-trifluorobutan-1-amine
CID 113326356
N-[(2-bromophenyl)methyl]-2-ethylsulfonylethanamine
CID 61401889
N-[(2-ethylphenyl)methyl]prop-2-yn-1-amine
CID 62392759
4-[(2-ethylphenyl)methylamino]butan-1-ol
CID 64680949
2-tert-butylsulfonyl-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 115625744

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfonyl-N-[(2-ethylphenyl)methyl]ethanamine?
The IUPAC name of 2-tert-butylsulfonyl-N-[(2-ethylphenyl)methyl]ethanamine (CID 106723822) is 2-tert-butylsulfonyl-N-[(2-ethylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-tert-butylsulfonyl-N-[(2-ethylphenyl)methyl]ethanamine?
The canonical SMILES for 2-tert-butylsulfonyl-N-[(2-ethylphenyl)methyl]ethanamine is CCc1ccccc1CNCCS(=O)(=O)C(C)(C)C.
What is the InChIKey of 2-tert-butylsulfonyl-N-[(2-ethylphenyl)methyl]ethanamine?
The InChIKey is YAYZVHQSMACHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-5-13-8-6-7-9-14(13)12-16-10-11-19(17,18)15(2,3)4/h6-9,16H,5,10-12H2,1-4H3.
What are the key properties of 2-tert-butylsulfonyl-N-[(2-ethylphenyl)methyl]ethanamine?
2-tert-butylsulfonyl-N-[(2-ethylphenyl)methyl]ethanamine has a molecular weight of 283.44 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfonyl-N-[(2-ethylphenyl)methyl]ethanamine is sourced from PubChem (CID 106723822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).