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

C15H18N2S — CID 97093086

IUPAC(3S)-N-methyl-N-(quinolin-2-ylmethyl)thiolan-3-amine
SMILESCN(Cc1ccc2ccccc2n1)[C@H]1CCSC1
InChIInChI=1S/C15H18N2S/c1-17(14-8-9-18-11-14)10-13-7-6-12-4-2-3-5-15(12)16-13/h2-7,14H,8-11H2,1H3/t14-/m0/s1
InChIKeyGYWUUCKFHATTOV-AWEZNQCLSA-N
MW258.39 g/mol
LogP3.17
Rot. Bonds3

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

(3S)-N-methyl-N-(quinolin-2-ylmethyl)thiolan-3-amine (PubChem CID 97093086) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is (3S)-N-methyl-N-(quinolin-2-ylmethyl)thiolan-3-amine.

Molecular Properties

Compound Name(3S)-N-methyl-N-(quinolin-2-ylmethyl)thiolan-3-amine
PubChem CID97093086
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name(3S)-N-methyl-N-(quinolin-2-ylmethyl)thiolan-3-amine
SMILESCN(Cc1ccc2ccccc2n1)[C@H]1CCSC1
InChIInChI=1S/C15H18N2S/c1-17(14-8-9-18-11-14)10-13-7-6-12-4-2-3-5-15(12)16-13/h2-7,14H,8-11H2,1H3/t14-/m0/s1
InChIKeyGYWUUCKFHATTOV-AWEZNQCLSA-N
XLogP3.17
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-methyl-4-N-(quinolin-2-ylmethyl)cyclohexane-1,4-diamine
CID 79112911
N-methyl-6-[[methyl(thiolan-3-yl)amino]methyl]pyridin-2-amine
CID 79243435
N-methyl-N-(quinolin-2-ylmethyl)pyrrolidin-3-amine;dihydrochloride
CID 119923035
N-methyl-1,1-dioxo-N-(quinolin-2-ylmethyl)thiolan-3-amine
CID 75682393
(3S)-N-methyl-1,1-dioxo-N-(quinolin-2-ylmethyl)thiolan-3-amine
CID 51598738
2-bromo-N-methyl-N-(quinolin-2-ylmethyl)cyclohexan-1-amine
CID 102637233
N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]thiolan-3-amine
CID 62421861
N-[(5-chloropyrazin-2-yl)methyl]-N-methylthiolan-3-amine
CID 103054068
N-[[4-(aminomethyl)phenyl]methyl]-N-methylthiolan-3-amine
CID 43296812
3-(2-aminoethyl)-N-methyl-N-(thiolan-3-yl)quinolin-2-amine
CID 63784426
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-methylthiolan-3-amine
CID 66389020
N-methyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 138692452

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-N-(quinolin-2-ylmethyl)thiolan-3-amine?
The IUPAC name of (3S)-N-methyl-N-(quinolin-2-ylmethyl)thiolan-3-amine (CID 97093086) is (3S)-N-methyl-N-(quinolin-2-ylmethyl)thiolan-3-amine.
What is the SMILES notation for (3S)-N-methyl-N-(quinolin-2-ylmethyl)thiolan-3-amine?
The canonical SMILES for (3S)-N-methyl-N-(quinolin-2-ylmethyl)thiolan-3-amine is CN(Cc1ccc2ccccc2n1)[C@H]1CCSC1.
What is the InChIKey of (3S)-N-methyl-N-(quinolin-2-ylmethyl)thiolan-3-amine?
The InChIKey is GYWUUCKFHATTOV-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18N2S/c1-17(14-8-9-18-11-14)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-N-(quinolin-2-ylmethyl)thiolan-3-amine?
(3S)-N-methyl-N-(quinolin-2-ylmethyl)thiolan-3-amine has a molecular weight of 258.39 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-N-(quinolin-2-ylmethyl)thiolan-3-amine is sourced from PubChem (CID 97093086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).