N-[5-(methylaminomethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide

C14H22N2O2S — CID 11173600

IUPACN-[5-(methylaminomethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc2c1CCCC2CNC
InChIInChI=1S/C14H22N2O2S/c1-3-19(17,18)16-14-9-5-7-12-11(10-15-2)6-4-8-13(12)14/h5,7,9,11,15-16H,3-4,6,8,10H2,1-2H3
InChIKeyIPANLOHNIGPZNM-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.09
Rot. Bonds5

About N-[5-(methylaminomethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide

N-[5-(methylaminomethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide (PubChem CID 11173600) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[5-(methylaminomethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[5-(methylaminomethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide
PubChem CID11173600
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-[5-(methylaminomethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc2c1CCCC2CNC
InChIInChI=1S/C14H22N2O2S/c1-3-19(17,18)16-14-9-5-7-12-11(10-15-2)6-4-8-13(12)14/h5,7,9,11,15-16H,3-4,6,8,10H2,1-2H3
InChIKeyIPANLOHNIGPZNM-UHFFFAOYSA-N
XLogP2.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(methylaminomethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide?
The IUPAC name of N-[5-(methylaminomethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide (CID 11173600) is N-[5-(methylaminomethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide.
What is the SMILES notation for N-[5-(methylaminomethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide?
The canonical SMILES for N-[5-(methylaminomethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide is CCS(=O)(=O)Nc1cccc2c1CCCC2CNC.
What is the InChIKey of N-[5-(methylaminomethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide?
The InChIKey is IPANLOHNIGPZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-19(17,18)16-14-9-5-7-12-11(10-15-2)6-4-8-13(12)14/h5,7,9,11,15-16H,3-4,6,8,10H2,1-2H3.
What are the key properties of N-[5-(methylaminomethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide?
N-[5-(methylaminomethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methylaminomethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide is sourced from PubChem (CID 11173600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).