N-methyl-2-(2-methylpropylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C15H23NO2S — CID 64646813

IUPACN-methyl-2-(2-methylpropylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2ccccc2CCC1S(=O)(=O)CC(C)C
InChIInChI=1S/C15H23NO2S/c1-11(2)10-19(17,18)14-9-8-12-6-4-5-7-13(12)15(14)16-3/h4-7,11,14-16H,8-10H2,1-3H3
InChIKeyZMPZEQXMLBDJSY-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.33
Rot. Bonds4

About N-methyl-2-(2-methylpropylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine

N-methyl-2-(2-methylpropylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 64646813) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-methyl-2-(2-methylpropylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-methyl-2-(2-methylpropylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID64646813
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-methyl-2-(2-methylpropylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2ccccc2CCC1S(=O)(=O)CC(C)C
InChIInChI=1S/C15H23NO2S/c1-11(2)10-19(17,18)14-9-8-12-6-4-5-7-13(12)15(14)16-3/h4-7,11,14-16H,8-10H2,1-3H3
InChIKeyZMPZEQXMLBDJSY-UHFFFAOYSA-N
XLogP2.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(2-methylbutylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107759610
N-methyl-2-(2-methylpropylsulfonyl)-2,3-dihydro-1H-inden-1-amine
CID 64646020
N-methyl-2-propan-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64676003
N-methyl-2-pentylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107758491
N-ethyl-2-ethylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64646782
N-methyl-2-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 83157787
N,4-dimethyl-2-(2-methylbutylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107759768
7-methoxy-2-(2-methylpropylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79247767
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylpropane-1-sulfonamide
CID 103834195
(1S,2R)-1-(2-methylsulfonylpropylamino)-1,2,3,4-tetrahydronaphthalen-2-ol
CID 154807752
2-N-(2-methoxyethyl)-1-N-methyl-2-N-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 82948042
N-methyl-6-(3-methylbutylsulfinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 107760436

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylpropylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-methyl-2-(2-methylpropylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 64646813) is N-methyl-2-(2-methylpropylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-methyl-2-(2-methylpropylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-methyl-2-(2-methylpropylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine is CNC1c2ccccc2CCC1S(=O)(=O)CC(C)C.
What is the InChIKey of N-methyl-2-(2-methylpropylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is ZMPZEQXMLBDJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-11(2)10-19(17,18)14-9-8-12-6-4-5-7-13(12)15(14)16-3/h4-7,11,14-16H,8-10H2,1-3H3.
What are the key properties of N-methyl-2-(2-methylpropylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
N-methyl-2-(2-methylpropylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 281.42 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylpropylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 64646813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).