(1S)-N-(2-methylsulfanylethyl)-1-pyridin-4-ylethanamine

C10H16N2S — CID 104863435

IUPAC(1S)-N-(2-methylsulfanylethyl)-1-pyridin-4-ylethanamine
SMILESCSCCN[C@@H](C)c1ccncc1
InChIInChI=1S/C10H16N2S/c1-9(12-7-8-13-2)10-3-5-11-6-4-10/h3-6,9,12H,7-8H2,1-2H3/t9-/m0/s1
InChIKeyBDUOHKWTSLPQOP-VIFPVBQESA-N
MW196.32 g/mol
LogP2.10
Rot. Bonds5

About (1S)-N-(2-methylsulfanylethyl)-1-pyridin-4-ylethanamine

(1S)-N-(2-methylsulfanylethyl)-1-pyridin-4-ylethanamine (PubChem CID 104863435) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is (1S)-N-(2-methylsulfanylethyl)-1-pyridin-4-ylethanamine.

Molecular Properties

Compound Name(1S)-N-(2-methylsulfanylethyl)-1-pyridin-4-ylethanamine
PubChem CID104863435
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name(1S)-N-(2-methylsulfanylethyl)-1-pyridin-4-ylethanamine
SMILESCSCCN[C@@H](C)c1ccncc1
InChIInChI=1S/C10H16N2S/c1-9(12-7-8-13-2)10-3-5-11-6-4-10/h3-6,9,12H,7-8H2,1-2H3/t9-/m0/s1
InChIKeyBDUOHKWTSLPQOP-VIFPVBQESA-N
XLogP2.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (1S)-N-(2-methylsulfanylethyl)-1-pyridin-4-ylethanamine 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

4-methylsulfanyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine
CID 103088256
(1S)-1-(4-bromophenyl)-N-(2-methylsulfanylethyl)ethanamine
CID 104863352
(1R)-N-(2-phenylsulfanylethyl)-1-pyridin-4-ylethanamine
CID 81409534
N-(2-prop-2-enylsulfanylethyl)-1-pyridin-4-ylethanamine
CID 115889029
1-(3,5-dimethylphenyl)-N-(2-methylsulfanylethyl)ethanamine
CID 81300970
2-methyl-2-methylsulfanyl-N-(1-pyridin-4-ylethyl)propan-1-amine
CID 115664278
N-[(1S)-1-pyridin-4-ylethyl]decan-1-amine
CID 81410025
5-[1-(2-methylsulfanylethylamino)ethyl]benzene-1,3-diol
CID 107706581
N,N-dimethyl-4-[1-(2-methylsulfanylethylamino)ethyl]benzenesulfonamide
CID 63981200
6-[[(1R)-1-pyridin-4-ylethyl]amino]hexan-1-ol
CID 107703538
4-methylsulfanyl-N-(1-phenylethyl)butan-1-amine
CID 115668102
5-[[(1S)-1-pyridin-4-ylethyl]amino]pentan-1-ol
CID 81410455

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(2-methylsulfanylethyl)-1-pyridin-4-ylethanamine?
The IUPAC name of (1S)-N-(2-methylsulfanylethyl)-1-pyridin-4-ylethanamine (CID 104863435) is (1S)-N-(2-methylsulfanylethyl)-1-pyridin-4-ylethanamine.
What is the SMILES notation for (1S)-N-(2-methylsulfanylethyl)-1-pyridin-4-ylethanamine?
The canonical SMILES for (1S)-N-(2-methylsulfanylethyl)-1-pyridin-4-ylethanamine is CSCCN[C@@H](C)c1ccncc1.
What is the InChIKey of (1S)-N-(2-methylsulfanylethyl)-1-pyridin-4-ylethanamine?
The InChIKey is BDUOHKWTSLPQOP-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16N2S/c1-9(12-7-8-13-2)10-3-5-11-6-4-10/h3-6,9,12H,7-8H2,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-N-(2-methylsulfanylethyl)-1-pyridin-4-ylethanamine?
(1S)-N-(2-methylsulfanylethyl)-1-pyridin-4-ylethanamine has a molecular weight of 196.32 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(2-methylsulfanylethyl)-1-pyridin-4-ylethanamine is sourced from PubChem (CID 104863435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).