1-methylsulfanyl-N-(quinolin-2-ylmethyl)propan-2-amine

C14H18N2S — CID 115654305

IUPAC1-methylsulfanyl-N-(quinolin-2-ylmethyl)propan-2-amine
SMILESCSCC(C)NCc1ccc2ccccc2n1
InChIInChI=1S/C14H18N2S/c1-11(10-17-2)15-9-13-8-7-12-5-3-4-6-14(12)16-13/h3-8,11,15H,9-10H2,1-2H3
InChIKeyVFTKRKDHSNBQDF-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.08
Rot. Bonds5

About 1-methylsulfanyl-N-(quinolin-2-ylmethyl)propan-2-amine

1-methylsulfanyl-N-(quinolin-2-ylmethyl)propan-2-amine (PubChem CID 115654305) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-methylsulfanyl-N-(quinolin-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-methylsulfanyl-N-(quinolin-2-ylmethyl)propan-2-amine
PubChem CID115654305
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name1-methylsulfanyl-N-(quinolin-2-ylmethyl)propan-2-amine
SMILESCSCC(C)NCc1ccc2ccccc2n1
InChIInChI=1S/C14H18N2S/c1-11(10-17-2)15-9-13-8-7-12-5-3-4-6-14(12)16-13/h3-8,11,15H,9-10H2,1-2H3
InChIKeyVFTKRKDHSNBQDF-UHFFFAOYSA-N
XLogP3.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methylsulfanyl-N-(quinolin-2-ylmethyl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(quinolin-2-ylmethyl)butan-2-amine
CID 43183332
4-methyl-N-(quinolin-2-ylmethyl)pentan-2-amine
CID 43372170
(2R)-2-(quinolin-2-ylmethylamino)propan-1-ol
CID 93083144
2-methyl-N-(quinolin-2-ylmethyl)pentan-3-amine
CID 54954967
N-(quinolin-2-ylmethyl)pentan-3-amine
CID 28774778
1-(furan-2-yl)-N-(quinolin-2-ylmethyl)propan-2-amine
CID 61043173
2-methyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 28774774
2-methylsulfanyl-N-(quinolin-2-ylmethyl)aniline
CID 60680732
(1R)-1-cyclopentyl-N-(quinolin-2-ylmethyl)ethanamine
CID 81395320
methyl (2S)-2-(quinolin-2-ylmethylamino)propanoate
CID 61141163
1-methylsulfanyl-N-(naphthalen-2-ylmethyl)propan-2-amine
CID 113239115
3-methyl-2-(quinolin-2-ylmethylamino)butanamide
CID 103699285

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-N-(quinolin-2-ylmethyl)propan-2-amine?
The IUPAC name of 1-methylsulfanyl-N-(quinolin-2-ylmethyl)propan-2-amine (CID 115654305) is 1-methylsulfanyl-N-(quinolin-2-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-methylsulfanyl-N-(quinolin-2-ylmethyl)propan-2-amine?
The canonical SMILES for 1-methylsulfanyl-N-(quinolin-2-ylmethyl)propan-2-amine is CSCC(C)NCc1ccc2ccccc2n1.
What is the InChIKey of 1-methylsulfanyl-N-(quinolin-2-ylmethyl)propan-2-amine?
The InChIKey is VFTKRKDHSNBQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-11(10-17-2)15-9-13-8-7-12-5-3-4-6-14(12)16-13/h3-8,11,15H,9-10H2,1-2H3.
What are the key properties of 1-methylsulfanyl-N-(quinolin-2-ylmethyl)propan-2-amine?
1-methylsulfanyl-N-(quinolin-2-ylmethyl)propan-2-amine has a molecular weight of 246.38 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-N-(quinolin-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 115654305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).