6,8-dimethyl-2-[(2R,3S)-2-methyloxolan-3-yl]sulfonyl-3,4-dihydro-1H-isoquinoline

C16H23NO3S — CID 99830889

IUPAC6,8-dimethyl-2-[(2R,3S)-2-methyloxolan-3-yl]sulfonyl-3,4-dihydro-1H-isoquinoline
SMILESCc1cc(C)c2c(c1)CCN(S(=O)(=O)[C@H]1CCO[C@@H]1C)C2
InChIInChI=1S/C16H23NO3S/c1-11-8-12(2)15-10-17(6-4-14(15)9-11)21(18,19)16-5-7-20-13(16)3/h8-9,13,16H,4-7,10H2,1-3H3/t13-,16+/m1/s1
InChIKeyPVUYOIXHLSDUDI-CJNGLKHVSA-N
MW309.43 g/mol
LogP2.17
Rot. Bonds2

About 6,8-dimethyl-2-[(2R,3S)-2-methyloxolan-3-yl]sulfonyl-3,4-dihydro-1H-isoquinoline

6,8-dimethyl-2-[(2R,3S)-2-methyloxolan-3-yl]sulfonyl-3,4-dihydro-1H-isoquinoline (PubChem CID 99830889) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is 6,8-dimethyl-2-[(2R,3S)-2-methyloxolan-3-yl]sulfonyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6,8-dimethyl-2-[(2R,3S)-2-methyloxolan-3-yl]sulfonyl-3,4-dihydro-1H-isoquinoline
PubChem CID99830889
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name6,8-dimethyl-2-[(2R,3S)-2-methyloxolan-3-yl]sulfonyl-3,4-dihydro-1H-isoquinoline
SMILESCc1cc(C)c2c(c1)CCN(S(=O)(=O)[C@H]1CCO[C@@H]1C)C2
InChIInChI=1S/C16H23NO3S/c1-11-8-12(2)15-10-17(6-4-14(15)9-11)21(18,19)16-5-7-20-13(16)3/h8-9,13,16H,4-7,10H2,1-3H3/t13-,16+/m1/s1
InChIKeyPVUYOIXHLSDUDI-CJNGLKHVSA-N
XLogP2.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6,8-dimethyl-2-[(2R,3S)-2-methyloxolan-3-yl]sulfonyl-3,4-dihydro-1H-isoquinoline with MolForge

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Related Compounds

(2S)-2-[(6,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-N,N-dimethylpropanamide
CID 99840563
5-bromo-1-(2-methyloxolan-3-yl)sulfonyl-2,3-dihydroindole
CID 75511460
methyl 2-[(6-fluoro-8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]cyclohexane-1-carboxylate
CID 136540544
ethane;2,5,7-trimethyl-3,4-dihydro-1H-isoquinoline;2,6,8-trimethyl-3,4-dihydro-1H-isoquinoline
CID 171517410
4-(2-methyloxolan-3-yl)sulfonyl-1,4-diazepane-1-sulfonamide
CID 167973143
4,6-difluoro-1-[(2S,3S)-2-methyloxolan-3-yl]sulfonyl-2,3-dihydroindole
CID 124861706
3-[1-(2-methyloxolan-3-yl)sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid
CID 167745354
2-methyloxolane-3-sulfonyl fluoride
CID 165460627
3-methyl-5-[(2-methyloxolan-3-yl)sulfonylmethyl]furan-2-carboxylic acid
CID 107746487
(2R,3S)-2-methyloxolane-3-sulfonyl chloride
CID 98113530
(2-amino-2,3-dihydro-1H-inden-5-yl)-(6,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 167750633
2-(2-methyloxolan-3-yl)sulfonyl-1-phenylethanone
CID 107764032

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-2-[(2R,3S)-2-methyloxolan-3-yl]sulfonyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6,8-dimethyl-2-[(2R,3S)-2-methyloxolan-3-yl]sulfonyl-3,4-dihydro-1H-isoquinoline (CID 99830889) is 6,8-dimethyl-2-[(2R,3S)-2-methyloxolan-3-yl]sulfonyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6,8-dimethyl-2-[(2R,3S)-2-methyloxolan-3-yl]sulfonyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6,8-dimethyl-2-[(2R,3S)-2-methyloxolan-3-yl]sulfonyl-3,4-dihydro-1H-isoquinoline is Cc1cc(C)c2c(c1)CCN(S(=O)(=O)[C@H]1CCO[C@@H]1C)C2.
What is the InChIKey of 6,8-dimethyl-2-[(2R,3S)-2-methyloxolan-3-yl]sulfonyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is PVUYOIXHLSDUDI-CJNGLKHVSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-11-8-12(2)15-10-17(6-4-14(15)9-11)21(18,19)16-5-7-20-13(16)3/h8-9,13,16H,4-7,10H2,1-3H3/t13-,16+/m1/s1.
What are the key properties of 6,8-dimethyl-2-[(2R,3S)-2-methyloxolan-3-yl]sulfonyl-3,4-dihydro-1H-isoquinoline?
6,8-dimethyl-2-[(2R,3S)-2-methyloxolan-3-yl]sulfonyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 309.43 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-2-[(2R,3S)-2-methyloxolan-3-yl]sulfonyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 99830889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).