2-methylsulfinyl-N-(1-pyridin-4-ylethyl)propan-1-amine

C11H18N2OS — CID 115896159

IUPAC2-methylsulfinyl-N-(1-pyridin-4-ylethyl)propan-1-amine
SMILESCC(NCC(C)S(C)=O)c1ccncc1
InChIInChI=1S/C11H18N2OS/c1-9(15(3)14)8-13-10(2)11-4-6-12-7-5-11/h4-7,9-10,13H,8H2,1-3H3
InChIKeyDKCHGTRHPYLEAP-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.50
Rot. Bonds5

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

2-methylsulfinyl-N-(1-pyridin-4-ylethyl)propan-1-amine (PubChem CID 115896159) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-methylsulfinyl-N-(1-pyridin-4-ylethyl)propan-1-amine.

Molecular Properties

Compound Name2-methylsulfinyl-N-(1-pyridin-4-ylethyl)propan-1-amine
PubChem CID115896159
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-methylsulfinyl-N-(1-pyridin-4-ylethyl)propan-1-amine
SMILESCC(NCC(C)S(C)=O)c1ccncc1
InChIInChI=1S/C11H18N2OS/c1-9(15(3)14)8-13-10(2)11-4-6-12-7-5-11/h4-7,9-10,13H,8H2,1-3H3
InChIKeyDKCHGTRHPYLEAP-UHFFFAOYSA-N
XLogP1.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylsulfinyl-N-[phenyl(pyridin-4-yl)methyl]propan-1-amine
CID 115974879
2-N,2-N-dimethyl-1-N-(1-pyridin-4-ylethyl)butane-1,2-diamine
CID 115880420
2-methylsulfinyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
CID 115896100
2-methyl-N-(1-pyridin-4-ylethyl)butan-1-amine
CID 43202297
2-methylsulfinyl-N-(1-naphthalen-2-ylethyl)propan-1-amine
CID 115896237
(2R)-1-(1-pyridin-4-ylethylamino)butan-2-ol
CID 75444116
3-hydroxy-4-[[(1R)-1-pyridin-4-ylethyl]amino]butanoic acid
CID 103258978
methyl 2-methyl-3-[[(1S)-1-pyridin-4-ylethyl]amino]propanoate
CID 81410031
2-cyclopropyl-N-(1-pyridin-4-ylethyl)propan-1-amine
CID 115663663
(1S)-1-phenyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]ethanol
CID 93032010
1,1,1-trifluoro-3-(1-pyridin-4-ylethylamino)propan-2-ol
CID 63901888
1,1,1-trifluoro-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81410735

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfinyl-N-(1-pyridin-4-ylethyl)propan-1-amine?
The IUPAC name of 2-methylsulfinyl-N-(1-pyridin-4-ylethyl)propan-1-amine (CID 115896159) is 2-methylsulfinyl-N-(1-pyridin-4-ylethyl)propan-1-amine.
What is the SMILES notation for 2-methylsulfinyl-N-(1-pyridin-4-ylethyl)propan-1-amine?
The canonical SMILES for 2-methylsulfinyl-N-(1-pyridin-4-ylethyl)propan-1-amine is CC(NCC(C)S(C)=O)c1ccncc1.
What is the InChIKey of 2-methylsulfinyl-N-(1-pyridin-4-ylethyl)propan-1-amine?
The InChIKey is DKCHGTRHPYLEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-9(15(3)14)8-13-10(2)11-4-6-12-7-5-11/h4-7,9-10,13H,8H2,1-3H3.
What are the key properties of 2-methylsulfinyl-N-(1-pyridin-4-ylethyl)propan-1-amine?
2-methylsulfinyl-N-(1-pyridin-4-ylethyl)propan-1-amine has a molecular weight of 226.34 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfinyl-N-(1-pyridin-4-ylethyl)propan-1-amine is sourced from PubChem (CID 115896159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).