(2S)-2-[(6,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-N,N-dimethylpropanamide

C16H24N2O3S — CID 99840563

IUPAC(2S)-2-[(6,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-N,N-dimethylpropanamide
SMILESCc1cc(C)c2c(c1)CCN(S(=O)(=O)[C@@H](C)C(=O)N(C)C)C2
InChIInChI=1S/C16H24N2O3S/c1-11-8-12(2)15-10-18(7-6-14(15)9-11)22(20,21)13(3)16(19)17(4)5/h8-9,13H,6-7,10H2,1-5H3/t13-/m0/s1
InChIKeyNKOTXXAAGBSXLJ-ZDUSSCGKSA-N
MW324.45 g/mol
LogP1.47
Rot. Bonds3

About (2S)-2-[(6,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-N,N-dimethylpropanamide

(2S)-2-[(6,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-N,N-dimethylpropanamide (PubChem CID 99840563) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is (2S)-2-[(6,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(6,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-N,N-dimethylpropanamide
PubChem CID99840563
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name(2S)-2-[(6,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-N,N-dimethylpropanamide
SMILESCc1cc(C)c2c(c1)CCN(S(=O)(=O)[C@@H](C)C(=O)N(C)C)C2
InChIInChI=1S/C16H24N2O3S/c1-11-8-12(2)15-10-18(7-6-14(15)9-11)22(20,21)13(3)16(19)17(4)5/h8-9,13H,6-7,10H2,1-5H3/t13-/m0/s1
InChIKeyNKOTXXAAGBSXLJ-ZDUSSCGKSA-N
XLogP1.47
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(6,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-N,N-dimethylpropanamide with MolForge

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Related Compounds

6,8-dimethyl-2-[(2R,3S)-2-methyloxolan-3-yl]sulfonyl-3,4-dihydro-1H-isoquinoline
CID 99830889
8-methyl-2-propan-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 58777927
(2R)-N,N-dimethyl-2-[(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]propanamide
CID 124623677
ethane;2,5,7-trimethyl-3,4-dihydro-1H-isoquinoline;2,6,8-trimethyl-3,4-dihydro-1H-isoquinoline
CID 171517410
N,N-dimethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carboxamide
CID 971390
(2-amino-2,3-dihydro-1H-inden-5-yl)-(6,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 167750633
7-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 162521919
N-hydroxy-2-[4-(4-methoxyphenyl)phenyl]sulfonyl-8-methyl-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 58147138
methyl 2-[(6-fluoro-8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]cyclohexane-1-carboxylate
CID 136540544
N,N,6-trimethyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 110289048
(2S)-2-amino-1-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 129229113
N,N,1-trimethyl-2,3-dihydroindole-6-carboxamide
CID 134369280

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-N,N-dimethylpropanamide?
The IUPAC name of (2S)-2-[(6,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-N,N-dimethylpropanamide (CID 99840563) is (2S)-2-[(6,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-N,N-dimethylpropanamide.
What is the SMILES notation for (2S)-2-[(6,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-N,N-dimethylpropanamide?
The canonical SMILES for (2S)-2-[(6,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-N,N-dimethylpropanamide is Cc1cc(C)c2c(c1)CCN(S(=O)(=O)[C@@H](C)C(=O)N(C)C)C2.
What is the InChIKey of (2S)-2-[(6,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-N,N-dimethylpropanamide?
The InChIKey is NKOTXXAAGBSXLJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-11-8-12(2)15-10-18(7-6-14(15)9-11)22(20,21)13(3)16(19)17(4)5/h8-9,13H,6-7,10H2,1-5H3/t13-/m0/s1.
What are the key properties of (2S)-2-[(6,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-N,N-dimethylpropanamide?
(2S)-2-[(6,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-N,N-dimethylpropanamide has a molecular weight of 324.45 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-N,N-dimethylpropanamide is sourced from PubChem (CID 99840563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).