2-(2-methylpropylsulfonyl)-1-naphthalen-1-ylethanamine

C16H21NO2S — CID 64646024

IUPAC2-(2-methylpropylsulfonyl)-1-naphthalen-1-ylethanamine
SMILESCC(C)CS(=O)(=O)CC(N)c1cccc2ccccc12
InChIInChI=1S/C16H21NO2S/c1-12(2)10-20(18,19)11-16(17)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,12,16H,10-11,17H2,1-2H3
InChIKeyVXUAFKHIRDMSMX-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.91
Rot. Bonds5

About 2-(2-methylpropylsulfonyl)-1-naphthalen-1-ylethanamine

2-(2-methylpropylsulfonyl)-1-naphthalen-1-ylethanamine (PubChem CID 64646024) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-(2-methylpropylsulfonyl)-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name2-(2-methylpropylsulfonyl)-1-naphthalen-1-ylethanamine
PubChem CID64646024
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name2-(2-methylpropylsulfonyl)-1-naphthalen-1-ylethanamine
SMILESCC(C)CS(=O)(=O)CC(N)c1cccc2ccccc12
InChIInChI=1S/C16H21NO2S/c1-12(2)10-20(18,19)11-16(17)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,12,16H,10-11,17H2,1-2H3
InChIKeyVXUAFKHIRDMSMX-UHFFFAOYSA-N
XLogP2.91
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(dimethylamino)-2-naphthalen-1-ylethyl]sulfonyl-N,N-dimethyl-1-naphthalen-1-ylethanamine
CID 141080662
4-methylsulfonyl-1-naphthalen-1-ylbutan-1-amine
CID 63192592
1-propan-2-ylnaphthalene;sulfuric acid
CID 70424781
(1R)-1-naphthalen-1-ylhexan-1-amine
CID 171212033
1-(2,5-dimethylphenyl)-2-(2-methylpropylsulfonyl)ethanamine
CID 64646620
2-chloro-1-naphthalen-1-ylethanamine
CID 116937640
deuterium monohydride;(1R)-1-naphthalen-1-ylethanamine
CID 158157747
2-methyl-1-naphthalen-1-ylpropan-1-amine
CID 14948205
2-methoxy-1-naphthalen-1-ylethanamine
CID 16790923
1-(2-ethoxyphenyl)-2-(3-methylbutylsulfonyl)ethanamine
CID 107760214
3,3,3-trifluoro-1-naphthalen-1-ylpropan-1-amine
CID 62790893
3-naphthalen-1-ylbutane-1,2-diamine
CID 142736205

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylsulfonyl)-1-naphthalen-1-ylethanamine?
The IUPAC name of 2-(2-methylpropylsulfonyl)-1-naphthalen-1-ylethanamine (CID 64646024) is 2-(2-methylpropylsulfonyl)-1-naphthalen-1-ylethanamine.
What is the SMILES notation for 2-(2-methylpropylsulfonyl)-1-naphthalen-1-ylethanamine?
The canonical SMILES for 2-(2-methylpropylsulfonyl)-1-naphthalen-1-ylethanamine is CC(C)CS(=O)(=O)CC(N)c1cccc2ccccc12.
What is the InChIKey of 2-(2-methylpropylsulfonyl)-1-naphthalen-1-ylethanamine?
The InChIKey is VXUAFKHIRDMSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-12(2)10-20(18,19)11-16(17)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,12,16H,10-11,17H2,1-2H3.
What are the key properties of 2-(2-methylpropylsulfonyl)-1-naphthalen-1-ylethanamine?
2-(2-methylpropylsulfonyl)-1-naphthalen-1-ylethanamine has a molecular weight of 291.42 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylsulfonyl)-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 64646024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).