6-[2-methyl-1-(sulfanylmethylamino)propan-2-yl]-3,4-dihydro-1H-quinolin-2-one

C14H20N2OS — CID 115228559

IUPAC6-[2-methyl-1-(sulfanylmethylamino)propan-2-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)(CNCS)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H20N2OS/c1-14(2,8-15-9-18)11-4-5-12-10(7-11)3-6-13(17)16-12/h4-5,7,15,18H,3,6,8-9H2,1-2H3,(H,16,17)
InChIKeyMYXICSRDKCRQCL-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.33
Rot. Bonds4

About 6-[2-methyl-1-(sulfanylmethylamino)propan-2-yl]-3,4-dihydro-1H-quinolin-2-one

6-[2-methyl-1-(sulfanylmethylamino)propan-2-yl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 115228559) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 6-[2-methyl-1-(sulfanylmethylamino)propan-2-yl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-methyl-1-(sulfanylmethylamino)propan-2-yl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID115228559
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name6-[2-methyl-1-(sulfanylmethylamino)propan-2-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)(CNCS)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H20N2OS/c1-14(2,8-15-9-18)11-4-5-12-10(7-11)3-6-13(17)16-12/h4-5,7,15,18H,3,6,8-9H2,1-2H3,(H,16,17)
InChIKeyMYXICSRDKCRQCL-UHFFFAOYSA-N
XLogP2.33
TPSA41.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propyl]acetamide
CID 115191431
[2-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propyl]urea
CID 115168783
5-[2-methyl-1-(methylaminomethylamino)propan-2-yl]-1,3-dihydroindol-2-one
CID 115227485
6-[(sulfanylmethylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 115227915
5-[1-(hydroxymethylamino)-2-methylpropan-2-yl]-1,3-dihydroindol-2-one
CID 115229633
6-(1,1-difluoropropyl)-3,4-dihydro-1H-quinolin-2-one
CID 116841256
5-[2-methyl-1-(sulfanylmethylamino)propan-2-yl]-1,3-dihydrobenzimidazol-2-one
CID 115228596
N-[2-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)propyl]carbamoyl bromide
CID 115194235
6-(3-amino-1,1-difluoropropyl)-3,4-dihydro-1H-quinolin-2-one
CID 116838540
7-(1-hydroxy-2-methylpropan-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 117312766
6-(2-sulfanylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82283516
6-[2-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 82282846

Frequently Asked Questions

What is the IUPAC name of 6-[2-methyl-1-(sulfanylmethylamino)propan-2-yl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-methyl-1-(sulfanylmethylamino)propan-2-yl]-3,4-dihydro-1H-quinolin-2-one (CID 115228559) is 6-[2-methyl-1-(sulfanylmethylamino)propan-2-yl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-methyl-1-(sulfanylmethylamino)propan-2-yl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-methyl-1-(sulfanylmethylamino)propan-2-yl]-3,4-dihydro-1H-quinolin-2-one is CC(C)(CNCS)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-[2-methyl-1-(sulfanylmethylamino)propan-2-yl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is MYXICSRDKCRQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-14(2,8-15-9-18)11-4-5-12-10(7-11)3-6-13(17)16-12/h4-5,7,15,18H,3,6,8-9H2,1-2H3,(H,16,17).
What are the key properties of 6-[2-methyl-1-(sulfanylmethylamino)propan-2-yl]-3,4-dihydro-1H-quinolin-2-one?
6-[2-methyl-1-(sulfanylmethylamino)propan-2-yl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 264.39 g/mol, XLogP of 2.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methyl-1-(sulfanylmethylamino)propan-2-yl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 115228559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).