5-[(2-methylthiolan-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

C15H22N2OS — CID 81108912

IUPAC5-[(2-methylthiolan-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCC1(CNC2CCCc3[nH]c(=O)ccc32)CCCS1
InChIInChI=1S/C15H22N2OS/c1-15(8-3-9-19-15)10-16-12-4-2-5-13-11(12)6-7-14(18)17-13/h6-7,12,16H,2-5,8-10H2,1H3,(H,17,18)
InChIKeyIPAGLFQSYPGQRO-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.63
Rot. Bonds3

About 5-[(2-methylthiolan-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

5-[(2-methylthiolan-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 81108912) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 5-[(2-methylthiolan-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[(2-methylthiolan-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID81108912
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name5-[(2-methylthiolan-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCC1(CNC2CCCc3[nH]c(=O)ccc32)CCCS1
InChIInChI=1S/C15H22N2OS/c1-15(8-3-9-19-15)10-16-12-4-2-5-13-11(12)6-7-14(18)17-13/h6-7,12,16H,2-5,8-10H2,1H3,(H,17,18)
InChIKeyIPAGLFQSYPGQRO-UHFFFAOYSA-N
XLogP2.63
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylthiolan-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-[(2-methylthiolan-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 81108912) is 5-[(2-methylthiolan-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-[(2-methylthiolan-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-[(2-methylthiolan-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is CC1(CNC2CCCc3[nH]c(=O)ccc32)CCCS1.
What is the InChIKey of 5-[(2-methylthiolan-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is IPAGLFQSYPGQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-15(8-3-9-19-15)10-16-12-4-2-5-13-11(12)6-7-14(18)17-13/h6-7,12,16H,2-5,8-10H2,1H3,(H,17,18).
What are the key properties of 5-[(2-methylthiolan-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-[(2-methylthiolan-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 278.42 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylthiolan-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 81108912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).