(3S)-N-methyl-1,1-dioxo-N-(quinolin-8-ylmethyl)thiolan-3-amine

C15H18N2O2S — CID 51598744

IUPAC(3S)-N-methyl-1,1-dioxo-N-(quinolin-8-ylmethyl)thiolan-3-amine
SMILESCN(Cc1cccc2cccnc12)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H18N2O2S/c1-17(14-7-9-20(18,19)11-14)10-13-5-2-4-12-6-3-8-16-15(12)13/h2-6,8,14H,7,9-11H2,1H3/t14-/m0/s1
InChIKeyPQGAXGYJZFXAGL-AWEZNQCLSA-N
MW290.39 g/mol
LogP1.85
Rot. Bonds3

About (3S)-N-methyl-1,1-dioxo-N-(quinolin-8-ylmethyl)thiolan-3-amine

(3S)-N-methyl-1,1-dioxo-N-(quinolin-8-ylmethyl)thiolan-3-amine (PubChem CID 51598744) 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-8-ylmethyl)thiolan-3-amine.

Molecular Properties

Compound Name(3S)-N-methyl-1,1-dioxo-N-(quinolin-8-ylmethyl)thiolan-3-amine
PubChem CID51598744
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name(3S)-N-methyl-1,1-dioxo-N-(quinolin-8-ylmethyl)thiolan-3-amine
SMILESCN(Cc1cccc2cccnc12)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H18N2O2S/c1-17(14-7-9-20(18,19)11-14)10-13-5-2-4-12-6-3-8-16-15(12)13/h2-6,8,14H,7,9-11H2,1H3/t14-/m0/s1
InChIKeyPQGAXGYJZFXAGL-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

Analyze (3S)-N-methyl-1,1-dioxo-N-(quinolin-8-ylmethyl)thiolan-3-amine with MolForge

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Related Compounds

N-(furan-2-ylmethyl)-1,1-dioxo-N-(quinolin-8-ylmethyl)thiolan-3-amine
CID 18154589
1-N,4-N-dimethyl-4-N-(quinolin-8-ylmethyl)cyclohexane-1,4-diamine
CID 79117135
N-methyl-1,1-dioxo-N-(quinolin-6-ylmethyl)thiolan-3-amine
CID 46981762
1-(1,1-dioxothiolan-3-yl)-1-methyl-3-quinolin-8-ylurea
CID 108989443
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 107113173
N-[(3-amino-2-fluorophenyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 107347272
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-quinolin-8-yloxyethyl)acetamide
CID 131919717
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,1-dioxothiolan-3-amine
CID 43817865
trans-(1S,2S)-N-methyl-2-methylsulfonyl-N-(quinolin-8-ylmethyl)cyclohexan-1-amine
CID 96567800
cis-(1S,2R)-N-methyl-2-methylsulfonyl-N-(quinolin-8-ylmethyl)cyclohexan-1-amine
CID 129427598
(3S)-N-methyl-1,1-dioxo-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine
CID 99939311
N-[[2-[(cyclopropylamino)methyl]phenyl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 62427777

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-1,1-dioxo-N-(quinolin-8-ylmethyl)thiolan-3-amine?
The IUPAC name of (3S)-N-methyl-1,1-dioxo-N-(quinolin-8-ylmethyl)thiolan-3-amine (CID 51598744) is (3S)-N-methyl-1,1-dioxo-N-(quinolin-8-ylmethyl)thiolan-3-amine.
What is the SMILES notation for (3S)-N-methyl-1,1-dioxo-N-(quinolin-8-ylmethyl)thiolan-3-amine?
The canonical SMILES for (3S)-N-methyl-1,1-dioxo-N-(quinolin-8-ylmethyl)thiolan-3-amine is CN(Cc1cccc2cccnc12)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of (3S)-N-methyl-1,1-dioxo-N-(quinolin-8-ylmethyl)thiolan-3-amine?
The InChIKey is PQGAXGYJZFXAGL-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-17(14-7-9-20(18,19)11-14)10-13-5-2-4-12-6-3-8-16-15(12)13/h2-6,8,14H,7,9-11H2,1H3/t14-/m0/s1.
What are the key properties of (3S)-N-methyl-1,1-dioxo-N-(quinolin-8-ylmethyl)thiolan-3-amine?
(3S)-N-methyl-1,1-dioxo-N-(quinolin-8-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-8-ylmethyl)thiolan-3-amine is sourced from PubChem (CID 51598744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).