N-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)methanesulfonamide

C12H17NO2S — CID 59006408

IUPACN-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)methanesulfonamide
SMILESCN(C1CCc2ccccc2C1)S(C)(=O)=O
InChIInChI=1S/C12H17NO2S/c1-13(16(2,14)15)12-8-7-10-5-3-4-6-11(10)9-12/h3-6,12H,7-9H2,1-2H3
InChIKeyDOFAGJCJVZLPHZ-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.44
Rot. Bonds2

About N-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)methanesulfonamide

N-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)methanesulfonamide (PubChem CID 59006408) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)methanesulfonamide
PubChem CID59006408
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)methanesulfonamide
SMILESCN(C1CCc2ccccc2C1)S(C)(=O)=O
InChIInChI=1S/C12H17NO2S/c1-13(16(2,14)15)12-8-7-10-5-3-4-6-11(10)9-12/h3-6,12H,7-9H2,1-2H3
InChIKeyDOFAGJCJVZLPHZ-UHFFFAOYSA-N
XLogP1.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)methanesulfonamide?
The IUPAC name of N-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)methanesulfonamide (CID 59006408) is N-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)methanesulfonamide.
What is the SMILES notation for N-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)methanesulfonamide?
The canonical SMILES for N-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)methanesulfonamide is CN(C1CCc2ccccc2C1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)methanesulfonamide?
The InChIKey is DOFAGJCJVZLPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-13(16(2,14)15)12-8-7-10-5-3-4-6-11(10)9-12/h3-6,12H,7-9H2,1-2H3.
What are the key properties of N-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)methanesulfonamide?
N-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)methanesulfonamide has a molecular weight of 239.34 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)methanesulfonamide is sourced from PubChem (CID 59006408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).