N-methyl-1,1-dioxo-N-(quinolin-6-ylmethyl)thiolan-3-amine

C15H18N2O2S — CID 46981762

IUPACN-methyl-1,1-dioxo-N-(quinolin-6-ylmethyl)thiolan-3-amine
SMILESCN(Cc1ccc2ncccc2c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H18N2O2S/c1-17(14-6-8-20(18,19)11-14)10-12-4-5-15-13(9-12)3-2-7-16-15/h2-5,7,9,14H,6,8,10-11H2,1H3
InChIKeyRNTJEAVOZPAYDI-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.85
Rot. Bonds3

About N-methyl-1,1-dioxo-N-(quinolin-6-ylmethyl)thiolan-3-amine

N-methyl-1,1-dioxo-N-(quinolin-6-ylmethyl)thiolan-3-amine (PubChem CID 46981762) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-methyl-1,1-dioxo-N-(quinolin-6-ylmethyl)thiolan-3-amine.

Molecular Properties

Compound NameN-methyl-1,1-dioxo-N-(quinolin-6-ylmethyl)thiolan-3-amine
PubChem CID46981762
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-methyl-1,1-dioxo-N-(quinolin-6-ylmethyl)thiolan-3-amine
SMILESCN(Cc1ccc2ncccc2c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H18N2O2S/c1-17(14-6-8-20(18,19)11-14)10-12-4-5-15-13(9-12)3-2-7-16-15/h2-5,7,9,14H,6,8,10-11H2,1H3
InChIKeyRNTJEAVOZPAYDI-UHFFFAOYSA-N
XLogP1.85
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(quinolin-6-ylmethyl)piperidin-4-amine
CID 43607729
2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-quinolin-6-ylacetamide
CID 95279452
2-chloro-N-methyl-N-(quinolin-6-ylmethyl)cyclohexan-1-amine
CID 102637488
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-quinolin-6-yloxyacetamide
CID 112978632
N-methyl-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1,1-dioxothiolan-3-amine
CID 84593084
(3S)-N-methyl-1,1-dioxo-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine
CID 99939311
(3S)-N-methyl-1,1-dioxo-N-(quinolin-2-ylmethyl)thiolan-3-amine
CID 51598738
N-methyl-1,1-dioxo-N-(quinolin-2-ylmethyl)thiolan-3-amine
CID 75682393
3-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]benzenecarbothioamide
CID 43648754
N-[(3-bromo-4-methoxyphenyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 60669797
4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]benzonitrile
CID 43410411
N-(2-bromoethyl)-N-(quinolin-6-ylmethyl)cyclopropanamine
CID 80669109

Frequently Asked Questions

What is the IUPAC name of N-methyl-1,1-dioxo-N-(quinolin-6-ylmethyl)thiolan-3-amine?
The IUPAC name of N-methyl-1,1-dioxo-N-(quinolin-6-ylmethyl)thiolan-3-amine (CID 46981762) is N-methyl-1,1-dioxo-N-(quinolin-6-ylmethyl)thiolan-3-amine.
What is the SMILES notation for N-methyl-1,1-dioxo-N-(quinolin-6-ylmethyl)thiolan-3-amine?
The canonical SMILES for N-methyl-1,1-dioxo-N-(quinolin-6-ylmethyl)thiolan-3-amine is CN(Cc1ccc2ncccc2c1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-methyl-1,1-dioxo-N-(quinolin-6-ylmethyl)thiolan-3-amine?
The InChIKey is RNTJEAVOZPAYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-17(14-6-8-20(18,19)11-14)10-12-4-5-15-13(9-12)3-2-7-16-15/h2-5,7,9,14H,6,8,10-11H2,1H3.
What are the key properties of N-methyl-1,1-dioxo-N-(quinolin-6-ylmethyl)thiolan-3-amine?
N-methyl-1,1-dioxo-N-(quinolin-6-ylmethyl)thiolan-3-amine has a molecular weight of 290.39 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,1-dioxo-N-(quinolin-6-ylmethyl)thiolan-3-amine is sourced from PubChem (CID 46981762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).