N-[(1S)-1-(7-fluoro-3-methyl-4-oxoquinolizin-2-yl)ethyl]-2-methylpropane-2-sulfinamide

C16H21FN2O2S — CID 129248860

IUPACN-[(1S)-1-(7-fluoro-3-methyl-4-oxoquinolizin-2-yl)ethyl]-2-methylpropane-2-sulfinamide
SMILESCc1c([C@H](C)NS(=O)C(C)(C)C)cc2ccc(F)cn2c1=O
InChIInChI=1S/C16H21FN2O2S/c1-10-14(11(2)18-22(21)16(3,4)5)8-13-7-6-12(17)9-19(13)15(10)20/h6-9,11,18H,1-5H3/t11-,22?/m0/s1
InChIKeyKEYCFJVLPMQEKD-OEIUOCRHSA-N
MW324.42 g/mol
LogP2.86
Rot. Bonds3

About N-[(1S)-1-(7-fluoro-3-methyl-4-oxoquinolizin-2-yl)ethyl]-2-methylpropane-2-sulfinamide

N-[(1S)-1-(7-fluoro-3-methyl-4-oxoquinolizin-2-yl)ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 129248860) has the molecular formula C16H21FN2O2S and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[(1S)-1-(7-fluoro-3-methyl-4-oxoquinolizin-2-yl)ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1S)-1-(7-fluoro-3-methyl-4-oxoquinolizin-2-yl)ethyl]-2-methylpropane-2-sulfinamide
PubChem CID129248860
Molecular FormulaC16H21FN2O2S
Molecular Weight324.42 g/mol
Exact Mass324.13
IUPAC NameN-[(1S)-1-(7-fluoro-3-methyl-4-oxoquinolizin-2-yl)ethyl]-2-methylpropane-2-sulfinamide
SMILESCc1c([C@H](C)NS(=O)C(C)(C)C)cc2ccc(F)cn2c1=O
InChIInChI=1S/C16H21FN2O2S/c1-10-14(11(2)18-22(21)16(3,4)5)8-13-7-6-12(17)9-19(13)15(10)20/h6-9,11,18H,1-5H3/t11-,22?/m0/s1
InChIKeyKEYCFJVLPMQEKD-OEIUOCRHSA-N
XLogP2.86
TPSA50.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(7-fluoro-3-methyl-4-oxoquinolizin-2-yl)ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(1S)-1-(7-fluoro-3-methyl-4-oxoquinolizin-2-yl)ethyl]-2-methylpropane-2-sulfinamide (CID 129248860) is N-[(1S)-1-(7-fluoro-3-methyl-4-oxoquinolizin-2-yl)ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(1S)-1-(7-fluoro-3-methyl-4-oxoquinolizin-2-yl)ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(1S)-1-(7-fluoro-3-methyl-4-oxoquinolizin-2-yl)ethyl]-2-methylpropane-2-sulfinamide is Cc1c([C@H](C)NS(=O)C(C)(C)C)cc2ccc(F)cn2c1=O.
What is the InChIKey of N-[(1S)-1-(7-fluoro-3-methyl-4-oxoquinolizin-2-yl)ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is KEYCFJVLPMQEKD-OEIUOCRHSA-N. The full InChI is InChI=1S/C16H21FN2O2S/c1-10-14(11(2)18-22(21)16(3,4)5)8-13-7-6-12(17)9-19(13)15(10)20/h6-9,11,18H,1-5H3/t11-,22?/m0/s1.
What are the key properties of N-[(1S)-1-(7-fluoro-3-methyl-4-oxoquinolizin-2-yl)ethyl]-2-methylpropane-2-sulfinamide?
N-[(1S)-1-(7-fluoro-3-methyl-4-oxoquinolizin-2-yl)ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 324.42 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(7-fluoro-3-methyl-4-oxoquinolizin-2-yl)ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 129248860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).