3-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline

C13H19NO2S — CID 63378163

IUPAC3-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline
SMILESCC1Cc2ccccc2N(S(=O)(=O)C(C)C)C1
InChIInChI=1S/C13H19NO2S/c1-10(2)17(15,16)14-9-11(3)8-12-6-4-5-7-13(12)14/h4-7,10-11H,8-9H2,1-3H3
InChIKeyUWPXEJYHUNFIEN-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.42
Rot. Bonds2

About 3-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline

3-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 63378163) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 3-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name3-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline
PubChem CID63378163
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name3-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline
SMILESCC1Cc2ccccc2N(S(=O)(=O)C(C)C)C1
InChIInChI=1S/C13H19NO2S/c1-10(2)17(15,16)14-9-11(3)8-12-6-4-5-7-13(12)14/h4-7,10-11H,8-9H2,1-3H3
InChIKeyUWPXEJYHUNFIEN-UHFFFAOYSA-N
XLogP2.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-methyl-3,4-dihydro-2H-quinoline-1-sulfonamide
CID 110416315
4-methyl-5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-thiazol-2-amine
CID 63947239
1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
CID 63404059
3-methyl-1-(piperidin-4-ylmethylsulfonyl)-3,4-dihydro-2H-quinoline
CID 63539873
1-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidine-2,5-dione
CID 110415887
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-methyl-3,4-dihydro-2H-quinoline
CID 110602519
4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-amine
CID 63468992
(3S)-1,3-dimethyl-3,4-dihydro-2H-quinoline
CID 40526138
5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-2-carbonitrile
CID 106268220
(1S)-1-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
CID 63533302
(2R)-2-ethyl-1-propan-2-ylsulfonyl-2,3-dihydroindole
CID 130412834
2,5-dimethyl-4-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]-1,3-oxazole
CID 110609322

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 3-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline (CID 63378163) is 3-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 3-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 3-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline is CC1Cc2ccccc2N(S(=O)(=O)C(C)C)C1.
What is the InChIKey of 3-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is UWPXEJYHUNFIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-10(2)17(15,16)14-9-11(3)8-12-6-4-5-7-13(12)14/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 3-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline?
3-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 253.37 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 63378163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).