2-methyl-2-methylsulfanyl-N-(1-pyridin-4-ylethyl)propan-1-amine

C12H20N2S — CID 115664278

IUPAC2-methyl-2-methylsulfanyl-N-(1-pyridin-4-ylethyl)propan-1-amine
SMILESCSC(C)(C)CNC(C)c1ccncc1
InChIInChI=1S/C12H20N2S/c1-10(11-5-7-13-8-6-11)14-9-12(2,3)15-4/h5-8,10,14H,9H2,1-4H3
InChIKeyQSFPNDRJNWRSSZ-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.87
Rot. Bonds5

About 2-methyl-2-methylsulfanyl-N-(1-pyridin-4-ylethyl)propan-1-amine

2-methyl-2-methylsulfanyl-N-(1-pyridin-4-ylethyl)propan-1-amine (PubChem CID 115664278) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 2-methyl-2-methylsulfanyl-N-(1-pyridin-4-ylethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-methylsulfanyl-N-(1-pyridin-4-ylethyl)propan-1-amine
PubChem CID115664278
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name2-methyl-2-methylsulfanyl-N-(1-pyridin-4-ylethyl)propan-1-amine
SMILESCSC(C)(C)CNC(C)c1ccncc1
InChIInChI=1S/C12H20N2S/c1-10(11-5-7-13-8-6-11)14-9-12(2,3)15-4/h5-8,10,14H,9H2,1-4H3
InChIKeyQSFPNDRJNWRSSZ-UHFFFAOYSA-N
XLogP2.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-iodophenyl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115726027
2,2-dimethyl-N-(1-pyridin-4-ylethyl)butan-1-amine
CID 103460442
N-[1-(4-methoxyphenyl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 113262472
2-methyl-3-(1-pyridin-4-ylethylamino)propane-1,2-diol
CID 66170728
(1S)-N-(2-methylsulfanylethyl)-1-pyridin-4-ylethanamine
CID 104863435
3-[(1-pyridin-4-ylethylamino)methyl]pentan-3-ol
CID 65107876
N-[1-(1-ethylpyrazol-4-yl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115725978
4-methylsulfanyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine
CID 103088256
2-methyl-N-(1-pyridin-4-ylethyl)butan-1-amine
CID 43202297
N-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-4-ylethanamine
CID 107266129
2-methyl-2-methylsulfanyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115777972
2,2-dimethyl-5-[[(1R)-1-pyridin-4-ylethyl]amino]pentanenitrile
CID 81410476

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-methylsulfanyl-N-(1-pyridin-4-ylethyl)propan-1-amine?
The IUPAC name of 2-methyl-2-methylsulfanyl-N-(1-pyridin-4-ylethyl)propan-1-amine (CID 115664278) is 2-methyl-2-methylsulfanyl-N-(1-pyridin-4-ylethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-2-methylsulfanyl-N-(1-pyridin-4-ylethyl)propan-1-amine?
The canonical SMILES for 2-methyl-2-methylsulfanyl-N-(1-pyridin-4-ylethyl)propan-1-amine is CSC(C)(C)CNC(C)c1ccncc1.
What is the InChIKey of 2-methyl-2-methylsulfanyl-N-(1-pyridin-4-ylethyl)propan-1-amine?
The InChIKey is QSFPNDRJNWRSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-10(11-5-7-13-8-6-11)14-9-12(2,3)15-4/h5-8,10,14H,9H2,1-4H3.
What are the key properties of 2-methyl-2-methylsulfanyl-N-(1-pyridin-4-ylethyl)propan-1-amine?
2-methyl-2-methylsulfanyl-N-(1-pyridin-4-ylethyl)propan-1-amine has a molecular weight of 224.37 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylsulfanyl-N-(1-pyridin-4-ylethyl)propan-1-amine is sourced from PubChem (CID 115664278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).