N-(quinolin-6-ylmethyl)thian-4-amine

C15H18N2S — CID 115615624

IUPACN-(quinolin-6-ylmethyl)thian-4-amine
SMILESc1cnc2ccc(CNC3CCSCC3)cc2c1
InChIInChI=1S/C15H18N2S/c1-2-13-10-12(3-4-15(13)16-7-1)11-17-14-5-8-18-9-6-14/h1-4,7,10,14,17H,5-6,8-9,11H2
InChIKeyAIDDXDODLIMJDN-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.22
Rot. Bonds3

About N-(quinolin-6-ylmethyl)thian-4-amine

N-(quinolin-6-ylmethyl)thian-4-amine (PubChem CID 115615624) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-(quinolin-6-ylmethyl)thian-4-amine.

Molecular Properties

Compound NameN-(quinolin-6-ylmethyl)thian-4-amine
PubChem CID115615624
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC NameN-(quinolin-6-ylmethyl)thian-4-amine
SMILESc1cnc2ccc(CNC3CCSCC3)cc2c1
InChIInChI=1S/C15H18N2S/c1-2-13-10-12(3-4-15(13)16-7-1)11-17-14-5-8-18-9-6-14/h1-4,7,10,14,17H,5-6,8-9,11H2
InChIKeyAIDDXDODLIMJDN-UHFFFAOYSA-N
XLogP3.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(quinolin-6-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 104694189
4-(quinolin-6-ylmethylamino)cyclohexane-1-carboxamide
CID 61042772
N-(quinolin-7-ylmethyl)cyclopropanamine
CID 78921001
1-propyl-N-(quinolin-6-ylmethyl)piperidin-4-amine
CID 60664069
N-(thian-4-yl)quinolin-6-amine
CID 62635274
2-methyl-N-(quinolin-6-ylmethyl)cyclohexan-1-amine
CID 43183350
2,2-dimethyl-N-(quinolin-6-ylmethyl)cyclopropan-1-amine
CID 61222294
N-(pyridin-3-ylmethyl)thian-4-amine
CID 43394819
(1S)-1-cycloheptyl-N-(quinolin-6-ylmethyl)ethanamine
CID 81388844
3-cyclopropyl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 115639548
tert-butyl 3-(quinolin-6-ylmethylamino)azetidine-1-carboxylate
CID 103748619
6-[[[1-[4-(dimethylsulfamoylamino)phenyl]piperidin-4-yl]amino]methyl]quinoline
CID 126465142

Frequently Asked Questions

What is the IUPAC name of N-(quinolin-6-ylmethyl)thian-4-amine?
The IUPAC name of N-(quinolin-6-ylmethyl)thian-4-amine (CID 115615624) is N-(quinolin-6-ylmethyl)thian-4-amine.
What is the SMILES notation for N-(quinolin-6-ylmethyl)thian-4-amine?
The canonical SMILES for N-(quinolin-6-ylmethyl)thian-4-amine is c1cnc2ccc(CNC3CCSCC3)cc2c1.
What is the InChIKey of N-(quinolin-6-ylmethyl)thian-4-amine?
The InChIKey is AIDDXDODLIMJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-2-13-10-12(3-4-15(13)16-7-1)11-17-14-5-8-18-9-6-14/h1-4,7,10,14,17H,5-6,8-9,11H2.
What are the key properties of N-(quinolin-6-ylmethyl)thian-4-amine?
N-(quinolin-6-ylmethyl)thian-4-amine has a molecular weight of 258.39 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(quinolin-6-ylmethyl)thian-4-amine is sourced from PubChem (CID 115615624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).