(1S)-N-ethyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanesulfonamide

C18H29NO2S — CID 97177607

IUPAC(1S)-N-ethyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanesulfonamide
SMILESCCNS(=O)(=O)[C@@H](C)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C18H29NO2S/c1-7-19-22(20,21)13(2)14-8-9-15-16(12-14)18(5,6)11-10-17(15,3)4/h8-9,12-13,19H,7,10-11H2,1-6H3/t13-/m0/s1
InChIKeyDMHBUJXTWTWGCL-ZDUSSCGKSA-N
MW323.50 g/mol
LogP4.04
Rot. Bonds4

About (1S)-N-ethyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanesulfonamide

(1S)-N-ethyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanesulfonamide (PubChem CID 97177607) has the molecular formula C18H29NO2S and a molecular weight of 323.50 g/mol. Its IUPAC name is (1S)-N-ethyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanesulfonamide.

Molecular Properties

Compound Name(1S)-N-ethyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanesulfonamide
PubChem CID97177607
Molecular FormulaC18H29NO2S
Molecular Weight323.50 g/mol
Exact Mass323.19
IUPAC Name(1S)-N-ethyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanesulfonamide
SMILESCCNS(=O)(=O)[C@@H](C)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C18H29NO2S/c1-7-19-22(20,21)13(2)14-8-9-15-16(12-14)18(5,6)11-10-17(15,3)4/h8-9,12-13,19H,7,10-11H2,1-6H3/t13-/m0/s1
InChIKeyDMHBUJXTWTWGCL-ZDUSSCGKSA-N
XLogP4.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.50
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-N-ethyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-N-ethyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanesulfonamide?
The IUPAC name of (1S)-N-ethyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanesulfonamide (CID 97177607) is (1S)-N-ethyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanesulfonamide.
What is the SMILES notation for (1S)-N-ethyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanesulfonamide?
The canonical SMILES for (1S)-N-ethyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanesulfonamide is CCNS(=O)(=O)[C@@H](C)c1ccc2c(c1)C(C)(C)CCC2(C)C.
What is the InChIKey of (1S)-N-ethyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanesulfonamide?
The InChIKey is DMHBUJXTWTWGCL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H29NO2S/c1-7-19-22(20,21)13(2)14-8-9-15-16(12-14)18(5,6)11-10-17(15,3)4/h8-9,12-13,19H,7,10-11H2,1-6H3/t13-/m0/s1.
What are the key properties of (1S)-N-ethyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanesulfonamide?
(1S)-N-ethyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanesulfonamide has a molecular weight of 323.50 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-ethyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanesulfonamide is sourced from PubChem (CID 97177607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).