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

C13H20N2O2S — CID 11288646

IUPACN-[5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc2c1CCCC2CN
InChIInChI=1S/C13H20N2O2S/c1-2-18(16,17)15-13-8-4-6-11-10(9-14)5-3-7-12(11)13/h4,6,8,10,15H,2-3,5,7,9,14H2,1H3
InChIKeyUCGABONFPJXISK-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.83
Rot. Bonds4

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

N-[5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide (PubChem CID 11288646) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-[5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide
PubChem CID11288646
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-[5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc2c1CCCC2CN
InChIInChI=1S/C13H20N2O2S/c1-2-18(16,17)15-13-8-4-6-11-10(9-14)5-3-7-12(11)13/h4,6,8,10,15H,2-3,5,7,9,14H2,1H3
InChIKeyUCGABONFPJXISK-UHFFFAOYSA-N
XLogP1.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide?
The IUPAC name of N-[5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide (CID 11288646) is N-[5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide.
What is the SMILES notation for N-[5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide?
The canonical SMILES for N-[5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide is CCS(=O)(=O)Nc1cccc2c1CCCC2CN.
What is the InChIKey of N-[5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide?
The InChIKey is UCGABONFPJXISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-2-18(16,17)15-13-8-4-6-11-10(9-14)5-3-7-12(11)13/h4,6,8,10,15H,2-3,5,7,9,14H2,1H3.
What are the key properties of N-[5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide?
N-[5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide is sourced from PubChem (CID 11288646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).