N-ethyl-4-methylsulfonyl-1-naphthalen-2-ylbutan-1-amine

C17H23NO2S — CID 63192640

IUPACN-ethyl-4-methylsulfonyl-1-naphthalen-2-ylbutan-1-amine
SMILESCCNC(CCCS(C)(=O)=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H23NO2S/c1-3-18-17(9-6-12-21(2,19)20)16-11-10-14-7-4-5-8-15(14)13-16/h4-5,7-8,10-11,13,17-18H,3,6,9,12H2,1-2H3
InChIKeyJEAFFQMMMPNEKX-UHFFFAOYSA-N
MW305.44 g/mol
LogP3.32
Rot. Bonds7

About N-ethyl-4-methylsulfonyl-1-naphthalen-2-ylbutan-1-amine

N-ethyl-4-methylsulfonyl-1-naphthalen-2-ylbutan-1-amine (PubChem CID 63192640) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is N-ethyl-4-methylsulfonyl-1-naphthalen-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methylsulfonyl-1-naphthalen-2-ylbutan-1-amine
PubChem CID63192640
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC NameN-ethyl-4-methylsulfonyl-1-naphthalen-2-ylbutan-1-amine
SMILESCCNC(CCCS(C)(=O)=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H23NO2S/c1-3-18-17(9-6-12-21(2,19)20)16-11-10-14-7-4-5-8-15(14)13-16/h4-5,7-8,10-11,13,17-18H,3,6,9,12H2,1-2H3
InChIKeyJEAFFQMMMPNEKX-UHFFFAOYSA-N
XLogP3.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-naphthalen-2-ylbutan-1-amine
CID 62716918
1-(3-ethoxyphenyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 63192449
N-ethyl-2-ethylsulfonyl-1-naphthalen-2-ylethanamine
CID 64646583
N-ethyl-4-methylsulfonyl-1-(3-methylsulfonylphenyl)butan-1-amine
CID 115820906
N-ethyl-4-methyl-1-naphthalen-2-ylpentan-1-amine
CID 63417061
N-ethyl-4-methylsulfonyl-1-quinolin-2-ylbutan-1-amine
CID 63222521
N-ethyl-4-methylsulfonyl-1-pyrimidin-5-ylbutan-1-amine
CID 102923316
1-(6-bromonaphthalen-2-yl)-N-ethylpentan-1-amine
CID 115832663
3-methylsulfonyl-1-naphthalen-2-ylpropan-1-amine
CID 62716916
1-(2,3-dimethylphenyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 115820292
N-methyl-1-naphthalen-2-ylhexan-1-amine
CID 63416228
1-(3-bromo-4-fluorophenyl)-N-ethyl-3-methylsulfonylpropan-1-amine
CID 82810385

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methylsulfonyl-1-naphthalen-2-ylbutan-1-amine?
The IUPAC name of N-ethyl-4-methylsulfonyl-1-naphthalen-2-ylbutan-1-amine (CID 63192640) is N-ethyl-4-methylsulfonyl-1-naphthalen-2-ylbutan-1-amine.
What is the SMILES notation for N-ethyl-4-methylsulfonyl-1-naphthalen-2-ylbutan-1-amine?
The canonical SMILES for N-ethyl-4-methylsulfonyl-1-naphthalen-2-ylbutan-1-amine is CCNC(CCCS(C)(=O)=O)c1ccc2ccccc2c1.
What is the InChIKey of N-ethyl-4-methylsulfonyl-1-naphthalen-2-ylbutan-1-amine?
The InChIKey is JEAFFQMMMPNEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-3-18-17(9-6-12-21(2,19)20)16-11-10-14-7-4-5-8-15(14)13-16/h4-5,7-8,10-11,13,17-18H,3,6,9,12H2,1-2H3.
What are the key properties of N-ethyl-4-methylsulfonyl-1-naphthalen-2-ylbutan-1-amine?
N-ethyl-4-methylsulfonyl-1-naphthalen-2-ylbutan-1-amine has a molecular weight of 305.44 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methylsulfonyl-1-naphthalen-2-ylbutan-1-amine is sourced from PubChem (CID 63192640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).