2-(methylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)ethanesulfonamide

C13H20N2O2S — CID 54974704

IUPAC2-(methylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)ethanesulfonamide
SMILESCNCCS(=O)(=O)Nc1cccc2c1CCCC2
InChIInChI=1S/C13H20N2O2S/c1-14-9-10-18(16,17)15-13-8-4-6-11-5-2-3-7-12(11)13/h4,6,8,14-15H,2-3,5,7,9-10H2,1H3
InChIKeyMXTVBUPRNDVZCR-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.53
Rot. Bonds5

About 2-(methylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)ethanesulfonamide

2-(methylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)ethanesulfonamide (PubChem CID 54974704) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-(methylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-(methylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)ethanesulfonamide
PubChem CID54974704
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-(methylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)ethanesulfonamide
SMILESCNCCS(=O)(=O)Nc1cccc2c1CCCC2
InChIInChI=1S/C13H20N2O2S/c1-14-9-10-18(16,17)15-13-8-4-6-11-5-2-3-7-12(11)13/h4,6,8,14-15H,2-3,5,7,9-10H2,1H3
InChIKeyMXTVBUPRNDVZCR-UHFFFAOYSA-N
XLogP1.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(propylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propane-1-sulfonamide
CID 106057677
5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene
CID 106057683
N-(2-propan-2-ylsulfonylethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 106722965
3-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 5104116
N-(2-chloro-6-methylphenyl)-2-(methylamino)ethanesulfonamide
CID 66256869
3-fluoro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 3391096
3-(methanesulfonamido)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 47175572
N-butyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43079025
3,4-difluoro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 3832524
1-N-cyclopropyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,4-disulfonamide
CID 35507830
N-propyl-2,3-dihydro-1H-inden-4-amine
CID 129164369
ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 178170556

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)ethanesulfonamide?
The IUPAC name of 2-(methylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)ethanesulfonamide (CID 54974704) is 2-(methylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)ethanesulfonamide.
What is the SMILES notation for 2-(methylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)ethanesulfonamide?
The canonical SMILES for 2-(methylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)ethanesulfonamide is CNCCS(=O)(=O)Nc1cccc2c1CCCC2.
What is the InChIKey of 2-(methylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)ethanesulfonamide?
The InChIKey is MXTVBUPRNDVZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-14-9-10-18(16,17)15-13-8-4-6-11-5-2-3-7-12(11)13/h4,6,8,14-15H,2-3,5,7,9-10H2,1H3.
What are the key properties of 2-(methylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)ethanesulfonamide?
2-(methylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)ethanesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)ethanesulfonamide is sourced from PubChem (CID 54974704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).