N-ethyl-4-methyl-2-propylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine

C16H25NO2S — CID 115420263

IUPACN-ethyl-4-methyl-2-propylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCS(=O)(=O)C1CC(C)c2ccccc2C1NCC
InChIInChI=1S/C16H25NO2S/c1-4-10-20(18,19)15-11-12(3)13-8-6-7-9-14(13)16(15)17-5-2/h6-9,12,15-17H,4-5,10-11H2,1-3H3
InChIKeyXKPVKBYIWKJNAU-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.04
Rot. Bonds5

About N-ethyl-4-methyl-2-propylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine

N-ethyl-4-methyl-2-propylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115420263) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is N-ethyl-4-methyl-2-propylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-2-propylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115420263
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC NameN-ethyl-4-methyl-2-propylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCS(=O)(=O)C1CC(C)c2ccccc2C1NCC
InChIInChI=1S/C16H25NO2S/c1-4-10-20(18,19)15-11-12(3)13-8-6-7-9-14(13)16(15)17-5-2/h6-9,12,15-17H,4-5,10-11H2,1-3H3
InChIKeyXKPVKBYIWKJNAU-UHFFFAOYSA-N
XLogP3.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-dimethyl-2-(2-methylbutylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107759768
2-ethylsulfonyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113306113
N-ethyl-3-pentylsulfonyl-3,4-dihydro-2H-chromen-4-amine
CID 107758627
2-butylsulfinyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420327
2-N-butyl-1-N-ethyl-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 115418822
N-ethyl-2-ethylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64646782
N-ethyl-4-methyl-2-phenoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115419175
N-ethyl-4-methyl-2-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420483
N-ethyl-6-methoxy-2-propylsulfonyl-2,3-dihydro-1H-inden-1-amine
CID 79375167
2-butan-2-ylsulfinyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420303
2-cyclopentylsulfinyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420341
4-methyl-2-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115420349

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-2-propylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-ethyl-4-methyl-2-propylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115420263) is N-ethyl-4-methyl-2-propylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-ethyl-4-methyl-2-propylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-ethyl-4-methyl-2-propylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine is CCCS(=O)(=O)C1CC(C)c2ccccc2C1NCC.
What is the InChIKey of N-ethyl-4-methyl-2-propylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is XKPVKBYIWKJNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-4-10-20(18,19)15-11-12(3)13-8-6-7-9-14(13)16(15)17-5-2/h6-9,12,15-17H,4-5,10-11H2,1-3H3.
What are the key properties of N-ethyl-4-methyl-2-propylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine?
N-ethyl-4-methyl-2-propylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 295.45 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-2-propylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115420263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).