N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine

C11H17ClN2S — CID 112692351

IUPACN-[(6-chloro-3-pyridinyl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine
SMILESCSCC(C)N(C)Cc1ccc(Cl)nc1
InChIInChI=1S/C11H17ClN2S/c1-9(8-15-3)14(2)7-10-4-5-11(12)13-6-10/h4-6,9H,7-8H2,1-3H3
InChIKeyANMNKLVNISKIDH-UHFFFAOYSA-N
MW244.79 g/mol
LogP2.92
Rot. Bonds5

About N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine

N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine (PubChem CID 112692351) has the molecular formula C11H17ClN2S and a molecular weight of 244.79 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine
PubChem CID112692351
Molecular FormulaC11H17ClN2S
Molecular Weight244.79 g/mol
Exact Mass244.08
IUPAC NameN-[(6-chloro-3-pyridinyl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine
SMILESCSCC(C)N(C)Cc1ccc(Cl)nc1
InChIInChI=1S/C11H17ClN2S/c1-9(8-15-3)14(2)7-10-4-5-11(12)13-6-10/h4-6,9H,7-8H2,1-3H3
InChIKeyANMNKLVNISKIDH-UHFFFAOYSA-N
XLogP2.92
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.79
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(6-chloro-3-pyridinyl)-N,N-dimethylmethanamine
CID 12056677
N-[(6-chloro-3-pyridinyl)methyl]-N-ethylbutan-2-amine
CID 43274506
2-methyl-N-[[4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]phenyl]methyl]propan-2-amine
CID 115987875
[4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]phenyl]boronic acid
CID 112663861
N-[(6-chloro-3-pyridinyl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine
CID 60719313
(6-chloro-3-pyridinyl)methyl-methylcyanamide
CID 119085201
2-amino-4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]phenol
CID 112657650
2-chloro-5-[(2S)-2-methylbutyl]pyridine
CID 56840075
N-[(6-chloro-3-pyridinyl)methyl]-N-methylprop-1-en-2-amine
CID 89003402
1-N-[(6-chloro-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 115683677
1-[(4-chlorophenyl)methyl-[(6-chloro-3-pyridinyl)methyl]amino]ethanol
CID 86624869
N-[4-[[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]methyl]phenyl]acetamide
CID 97159915

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine (CID 112692351) is N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine is CSCC(C)N(C)Cc1ccc(Cl)nc1.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine?
The InChIKey is ANMNKLVNISKIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2S/c1-9(8-15-3)14(2)7-10-4-5-11(12)13-6-10/h4-6,9H,7-8H2,1-3H3.
What are the key properties of N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine?
N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine has a molecular weight of 244.79 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine is sourced from PubChem (CID 112692351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).