(4S)-4-methyl-1-[(6-methyl-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline

C16H18N2O2S — CID 99798837

IUPAC(4S)-4-methyl-1-[(6-methyl-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline
SMILESCc1ccc(S(=O)(=O)N2CC[C@H](C)c3ccccc32)cn1
InChIInChI=1S/C16H18N2O2S/c1-12-9-10-18(16-6-4-3-5-15(12)16)21(19,20)14-8-7-13(2)17-11-14/h3-8,11-12H,9-10H2,1-2H3/t12-/m0/s1
InChIKeyJZSUOWKJAAEREL-LBPRGKRZSA-N
MW302.40 g/mol
LogP3.09
Rot. Bonds2

About (4S)-4-methyl-1-[(6-methyl-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline

(4S)-4-methyl-1-[(6-methyl-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline (PubChem CID 99798837) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is (4S)-4-methyl-1-[(6-methyl-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name(4S)-4-methyl-1-[(6-methyl-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline
PubChem CID99798837
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name(4S)-4-methyl-1-[(6-methyl-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline
SMILESCc1ccc(S(=O)(=O)N2CC[C@H](C)c3ccccc32)cn1
InChIInChI=1S/C16H18N2O2S/c1-12-9-10-18(16-6-4-3-5-15(12)16)21(19,20)14-8-7-13(2)17-11-14/h3-8,11-12H,9-10H2,1-2H3/t12-/m0/s1
InChIKeyJZSUOWKJAAEREL-LBPRGKRZSA-N
XLogP3.09
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-1-[(6-methyl-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline?
The IUPAC name of (4S)-4-methyl-1-[(6-methyl-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline (CID 99798837) is (4S)-4-methyl-1-[(6-methyl-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for (4S)-4-methyl-1-[(6-methyl-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for (4S)-4-methyl-1-[(6-methyl-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline is Cc1ccc(S(=O)(=O)N2CC[C@H](C)c3ccccc32)cn1.
What is the InChIKey of (4S)-4-methyl-1-[(6-methyl-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline?
The InChIKey is JZSUOWKJAAEREL-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-12-9-10-18(16-6-4-3-5-15(12)16)21(19,20)14-8-7-13(2)17-11-14/h3-8,11-12H,9-10H2,1-2H3/t12-/m0/s1.
What are the key properties of (4S)-4-methyl-1-[(6-methyl-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline?
(4S)-4-methyl-1-[(6-methyl-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline has a molecular weight of 302.40 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-1-[(6-methyl-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 99798837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).