(3S)-N-methyl-1,1-dioxo-N-(quinolin-2-ylmethyl)thiolan-3-amine

C15H18N2O2S — CID 51598738

IUPAC(3S)-N-methyl-1,1-dioxo-N-(quinolin-2-ylmethyl)thiolan-3-amine
SMILESCN(Cc1ccc2ccccc2n1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H18N2O2S/c1-17(14-8-9-20(18,19)11-14)10-13-7-6-12-4-2-3-5-15(12)16-13/h2-7,14H,8-11H2,1H3/t14-/m0/s1
InChIKeyYJVHFMUVUJPTDA-AWEZNQCLSA-N
MW290.39 g/mol
LogP1.85
Rot. Bonds3

About (3S)-N-methyl-1,1-dioxo-N-(quinolin-2-ylmethyl)thiolan-3-amine

(3S)-N-methyl-1,1-dioxo-N-(quinolin-2-ylmethyl)thiolan-3-amine (PubChem CID 51598738) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is (3S)-N-methyl-1,1-dioxo-N-(quinolin-2-ylmethyl)thiolan-3-amine.

Molecular Properties

Compound Name(3S)-N-methyl-1,1-dioxo-N-(quinolin-2-ylmethyl)thiolan-3-amine
PubChem CID51598738
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name(3S)-N-methyl-1,1-dioxo-N-(quinolin-2-ylmethyl)thiolan-3-amine
SMILESCN(Cc1ccc2ccccc2n1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H18N2O2S/c1-17(14-8-9-20(18,19)11-14)10-13-7-6-12-4-2-3-5-15(12)16-13/h2-7,14H,8-11H2,1H3/t14-/m0/s1
InChIKeyYJVHFMUVUJPTDA-AWEZNQCLSA-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-1,1-dioxo-N-(quinolin-2-ylmethyl)thiolan-3-amine
CID 75682393
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,1-dioxothiolan-3-amine
CID 43817865
4-N-methyl-4-N-(quinolin-2-ylmethyl)cyclohexane-1,4-diamine
CID 79112911
(3S)-N-methyl-N-(quinolin-2-ylmethyl)thiolan-3-amine
CID 97093086
N-methyl-N-(quinolin-2-ylmethyl)pyrrolidin-3-amine;dihydrochloride
CID 119923035
1-(1,1-dioxothiolan-3-yl)-2-quinolin-2-ylethanone
CID 64906632
(3S)-N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 94394020
2-bromo-N-methyl-N-(quinolin-2-ylmethyl)cyclohexan-1-amine
CID 102637233
3-(chloromethyl)-N-(1,1-dioxothiolan-3-yl)-N-methylquinolin-2-amine
CID 43648934
N-methyl-1,1-dioxo-N-(quinolin-6-ylmethyl)thiolan-3-amine
CID 46981762
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 107113173
(3S)-N-methyl-1,1-dioxo-N-(quinolin-8-ylmethyl)thiolan-3-amine
CID 51598744

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-1,1-dioxo-N-(quinolin-2-ylmethyl)thiolan-3-amine?
The IUPAC name of (3S)-N-methyl-1,1-dioxo-N-(quinolin-2-ylmethyl)thiolan-3-amine (CID 51598738) is (3S)-N-methyl-1,1-dioxo-N-(quinolin-2-ylmethyl)thiolan-3-amine.
What is the SMILES notation for (3S)-N-methyl-1,1-dioxo-N-(quinolin-2-ylmethyl)thiolan-3-amine?
The canonical SMILES for (3S)-N-methyl-1,1-dioxo-N-(quinolin-2-ylmethyl)thiolan-3-amine is CN(Cc1ccc2ccccc2n1)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of (3S)-N-methyl-1,1-dioxo-N-(quinolin-2-ylmethyl)thiolan-3-amine?
The InChIKey is YJVHFMUVUJPTDA-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-17(14-8-9-20(18,19)11-14)10-13-7-6-12-4-2-3-5-15(12)16-13/h2-7,14H,8-11H2,1H3/t14-/m0/s1.
What are the key properties of (3S)-N-methyl-1,1-dioxo-N-(quinolin-2-ylmethyl)thiolan-3-amine?
(3S)-N-methyl-1,1-dioxo-N-(quinolin-2-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 (3S)-N-methyl-1,1-dioxo-N-(quinolin-2-ylmethyl)thiolan-3-amine is sourced from PubChem (CID 51598738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).