N-ethyl-2-(3-methylbutan-2-ylsulfonyl)-1-phenylethanamine

C15H25NO2S — CID 107759153

IUPACN-ethyl-2-(3-methylbutan-2-ylsulfonyl)-1-phenylethanamine
SMILESCCNC(CS(=O)(=O)C(C)C(C)C)c1ccccc1
InChIInChI=1S/C15H25NO2S/c1-5-16-15(14-9-7-6-8-10-14)11-19(17,18)13(4)12(2)3/h6-10,12-13,15-16H,5,11H2,1-4H3
InChIKeyKJWJJSXNVKDYIC-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.80
Rot. Bonds7

About N-ethyl-2-(3-methylbutan-2-ylsulfonyl)-1-phenylethanamine

N-ethyl-2-(3-methylbutan-2-ylsulfonyl)-1-phenylethanamine (PubChem CID 107759153) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is N-ethyl-2-(3-methylbutan-2-ylsulfonyl)-1-phenylethanamine.

Molecular Properties

Compound NameN-ethyl-2-(3-methylbutan-2-ylsulfonyl)-1-phenylethanamine
PubChem CID107759153
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC NameN-ethyl-2-(3-methylbutan-2-ylsulfonyl)-1-phenylethanamine
SMILESCCNC(CS(=O)(=O)C(C)C(C)C)c1ccccc1
InChIInChI=1S/C15H25NO2S/c1-5-16-15(14-9-7-6-8-10-14)11-19(17,18)13(4)12(2)3/h6-10,12-13,15-16H,5,11H2,1-4H3
InChIKeyKJWJJSXNVKDYIC-UHFFFAOYSA-N
XLogP2.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(3-methylbutan-2-ylsulfonyl)-1-phenylethanamine
CID 107759066
N-ethyl-2-(2-methylsulfonylethylsulfonyl)-1-phenylethanamine
CID 64646605
N-ethyl-1-phenyl-5-propan-2-ylsulfonylpentan-1-amine
CID 106732316
N-ethyl-2-propan-2-ylsulfonyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64675011
2-butylsulfonyl-N-ethyl-1-phenylpropan-1-amine
CID 64676326
N,N',N'-triethyl-1-phenylethane-1,2-diamine
CID 60695169
N-ethyl-2-ethylsulfanyl-1-phenylethanamine
CID 64613608
N-ethyl-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 43489138
N-ethyl-2-ethylsulfonyl-1-naphthalen-2-ylethanamine
CID 64646583
2-(3-methylbutan-2-ylsulfonyl)-1-phenyl-N-propylpropan-1-amine
CID 107759149
2-butan-2-ylsulfanyl-N-ethyl-1-phenylethanamine
CID 64613420
N-[(4-methylsulfonylphenyl)-phenylmethyl]ethanamine
CID 43489121

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methylbutan-2-ylsulfonyl)-1-phenylethanamine?
The IUPAC name of N-ethyl-2-(3-methylbutan-2-ylsulfonyl)-1-phenylethanamine (CID 107759153) is N-ethyl-2-(3-methylbutan-2-ylsulfonyl)-1-phenylethanamine.
What is the SMILES notation for N-ethyl-2-(3-methylbutan-2-ylsulfonyl)-1-phenylethanamine?
The canonical SMILES for N-ethyl-2-(3-methylbutan-2-ylsulfonyl)-1-phenylethanamine is CCNC(CS(=O)(=O)C(C)C(C)C)c1ccccc1.
What is the InChIKey of N-ethyl-2-(3-methylbutan-2-ylsulfonyl)-1-phenylethanamine?
The InChIKey is KJWJJSXNVKDYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-5-16-15(14-9-7-6-8-10-14)11-19(17,18)13(4)12(2)3/h6-10,12-13,15-16H,5,11H2,1-4H3.
What are the key properties of N-ethyl-2-(3-methylbutan-2-ylsulfonyl)-1-phenylethanamine?
N-ethyl-2-(3-methylbutan-2-ylsulfonyl)-1-phenylethanamine has a molecular weight of 283.44 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methylbutan-2-ylsulfonyl)-1-phenylethanamine is sourced from PubChem (CID 107759153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).