N-[2-(6-methyl-3-pyridinyl)ethyl]thietan-3-amine

C11H16N2S — CID 170899632

IUPACN-[2-(6-methyl-3-pyridinyl)ethyl]thietan-3-amine
SMILESCc1ccc(CCNC2CSC2)cn1
InChIInChI=1S/C11H16N2S/c1-9-2-3-10(6-13-9)4-5-12-11-7-14-8-11/h2-3,6,11-12H,4-5,7-8H2,1H3
InChIKeyOWFMNFXRAFHPFY-UHFFFAOYSA-N
MW208.33 g/mol
LogP1.64
Rot. Bonds4

About N-[2-(6-methyl-3-pyridinyl)ethyl]thietan-3-amine

N-[2-(6-methyl-3-pyridinyl)ethyl]thietan-3-amine (PubChem CID 170899632) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is N-[2-(6-methyl-3-pyridinyl)ethyl]thietan-3-amine.

Molecular Properties

Compound NameN-[2-(6-methyl-3-pyridinyl)ethyl]thietan-3-amine
PubChem CID170899632
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC NameN-[2-(6-methyl-3-pyridinyl)ethyl]thietan-3-amine
SMILESCc1ccc(CCNC2CSC2)cn1
InChIInChI=1S/C11H16N2S/c1-9-2-3-10(6-13-9)4-5-12-11-7-14-8-11/h2-3,6,11-12H,4-5,7-8H2,1H3
InChIKeyOWFMNFXRAFHPFY-UHFFFAOYSA-N
XLogP1.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methyl-3-pyridinyl)ethyl]thietan-3-amine?
The IUPAC name of N-[2-(6-methyl-3-pyridinyl)ethyl]thietan-3-amine (CID 170899632) is N-[2-(6-methyl-3-pyridinyl)ethyl]thietan-3-amine.
What is the SMILES notation for N-[2-(6-methyl-3-pyridinyl)ethyl]thietan-3-amine?
The canonical SMILES for N-[2-(6-methyl-3-pyridinyl)ethyl]thietan-3-amine is Cc1ccc(CCNC2CSC2)cn1.
What is the InChIKey of N-[2-(6-methyl-3-pyridinyl)ethyl]thietan-3-amine?
The InChIKey is OWFMNFXRAFHPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-9-2-3-10(6-13-9)4-5-12-11-7-14-8-11/h2-3,6,11-12H,4-5,7-8H2,1H3.
What are the key properties of N-[2-(6-methyl-3-pyridinyl)ethyl]thietan-3-amine?
N-[2-(6-methyl-3-pyridinyl)ethyl]thietan-3-amine has a molecular weight of 208.33 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methyl-3-pyridinyl)ethyl]thietan-3-amine is sourced from PubChem (CID 170899632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).