3-[(2-methylsulfanylpropylamino)methyl]-1H-quinolin-2-one

C14H18N2OS — CID 115757730

IUPAC3-[(2-methylsulfanylpropylamino)methyl]-1H-quinolin-2-one
SMILESCSC(C)CNCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C14H18N2OS/c1-10(18-2)8-15-9-12-7-11-5-3-4-6-13(11)16-14(12)17/h3-7,10,15H,8-9H2,1-2H3,(H,16,17)
InChIKeyKJVPRIVYQJDELP-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.37
Rot. Bonds5

About 3-[(2-methylsulfanylpropylamino)methyl]-1H-quinolin-2-one

3-[(2-methylsulfanylpropylamino)methyl]-1H-quinolin-2-one (PubChem CID 115757730) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 3-[(2-methylsulfanylpropylamino)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(2-methylsulfanylpropylamino)methyl]-1H-quinolin-2-one
PubChem CID115757730
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name3-[(2-methylsulfanylpropylamino)methyl]-1H-quinolin-2-one
SMILESCSC(C)CNCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C14H18N2OS/c1-10(18-2)8-15-9-12-7-11-5-3-4-6-13(11)16-14(12)17/h3-7,10,15H,8-9H2,1-2H3,(H,16,17)
InChIKeyKJVPRIVYQJDELP-UHFFFAOYSA-N
XLogP2.37
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one
CID 93081788
3-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]-1H-quinolin-2-one
CID 115664647
3-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]-1H-quinolin-2-one
CID 103682882
3-[(4-methylsulfanylbutan-2-ylamino)methyl]-1H-quinolin-2-one
CID 115640570
3-[(3-methylbut-2-enylamino)methyl]-1H-quinolin-2-one
CID 103527928
3-[(3-hydroxypropylamino)methyl]-1H-quinolin-2-one
CID 28715980
3-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-1H-quinolin-2-one
CID 103839029
3-[[(2,2-diethyl-4-hydroxybutyl)amino]methyl]-1H-quinolin-2-one
CID 111498735
3-[[(2-hydroxy-2-phenylpropyl)amino]methyl]-1H-quinolin-2-one
CID 111434717
N-butan-2-yl-3-[(2-oxo-1H-quinolin-3-yl)methylamino]propanamide
CID 119136138
3-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one
CID 111434672
(2S)-4-methyl-2-[(2-oxo-1H-quinolin-3-yl)methylamino]pentanoic acid
CID 120510789

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylsulfanylpropylamino)methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[(2-methylsulfanylpropylamino)methyl]-1H-quinolin-2-one (CID 115757730) is 3-[(2-methylsulfanylpropylamino)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[(2-methylsulfanylpropylamino)methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[(2-methylsulfanylpropylamino)methyl]-1H-quinolin-2-one is CSC(C)CNCc1cc2ccccc2[nH]c1=O.
What is the InChIKey of 3-[(2-methylsulfanylpropylamino)methyl]-1H-quinolin-2-one?
The InChIKey is KJVPRIVYQJDELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10(18-2)8-15-9-12-7-11-5-3-4-6-13(11)16-14(12)17/h3-7,10,15H,8-9H2,1-2H3,(H,16,17).
What are the key properties of 3-[(2-methylsulfanylpropylamino)methyl]-1H-quinolin-2-one?
3-[(2-methylsulfanylpropylamino)methyl]-1H-quinolin-2-one has a molecular weight of 262.38 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylsulfanylpropylamino)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 115757730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).