N-methyl-4-pyridin-2-ylsulfanylbutan-1-amine

C10H16N2S — CID 62578791

IUPACN-methyl-4-pyridin-2-ylsulfanylbutan-1-amine
SMILESCNCCCCSc1ccccn1
InChIInChI=1S/C10H16N2S/c1-11-7-4-5-9-13-10-6-2-3-8-12-10/h2-3,6,8,11H,4-5,7,9H2,1H3
InChIKeyKSVVHNKTQKLBRP-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.17
Rot. Bonds6

About N-methyl-4-pyridin-2-ylsulfanylbutan-1-amine

N-methyl-4-pyridin-2-ylsulfanylbutan-1-amine (PubChem CID 62578791) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is N-methyl-4-pyridin-2-ylsulfanylbutan-1-amine.

Molecular Properties

Compound NameN-methyl-4-pyridin-2-ylsulfanylbutan-1-amine
PubChem CID62578791
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC NameN-methyl-4-pyridin-2-ylsulfanylbutan-1-amine
SMILESCNCCCCSc1ccccn1
InChIInChI=1S/C10H16N2S/c1-11-7-4-5-9-13-10-6-2-3-8-12-10/h2-3,6,8,11H,4-5,7,9H2,1H3
InChIKeyKSVVHNKTQKLBRP-UHFFFAOYSA-N
XLogP2.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-pyridin-2-ylsulfanylbutan-1-amine?
The IUPAC name of N-methyl-4-pyridin-2-ylsulfanylbutan-1-amine (CID 62578791) is N-methyl-4-pyridin-2-ylsulfanylbutan-1-amine.
What is the SMILES notation for N-methyl-4-pyridin-2-ylsulfanylbutan-1-amine?
The canonical SMILES for N-methyl-4-pyridin-2-ylsulfanylbutan-1-amine is CNCCCCSc1ccccn1.
What is the InChIKey of N-methyl-4-pyridin-2-ylsulfanylbutan-1-amine?
The InChIKey is KSVVHNKTQKLBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-11-7-4-5-9-13-10-6-2-3-8-12-10/h2-3,6,8,11H,4-5,7,9H2,1H3.
What are the key properties of N-methyl-4-pyridin-2-ylsulfanylbutan-1-amine?
N-methyl-4-pyridin-2-ylsulfanylbutan-1-amine has a molecular weight of 196.32 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-pyridin-2-ylsulfanylbutan-1-amine is sourced from PubChem (CID 62578791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).