2-(4-methylthian-4-yl)ethanamine

C8H17NS — CID 83815685

IUPAC2-(4-methylthian-4-yl)ethanamine
SMILESCC1(CCN)CCSCC1
InChIInChI=1S/C8H17NS/c1-8(2-5-9)3-6-10-7-4-8/h2-7,9H2,1H3
InChIKeyMQPRQPNOQBYGKC-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.87
Rot. Bonds2

About 2-(4-methylthian-4-yl)ethanamine

2-(4-methylthian-4-yl)ethanamine (PubChem CID 83815685) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 2-(4-methylthian-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-methylthian-4-yl)ethanamine
PubChem CID83815685
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name2-(4-methylthian-4-yl)ethanamine
SMILESCC1(CCN)CCSCC1
InChIInChI=1S/C8H17NS/c1-8(2-5-9)3-6-10-7-4-8/h2-7,9H2,1H3
InChIKeyMQPRQPNOQBYGKC-UHFFFAOYSA-N
XLogP1.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylthian-4-yl)ethanamine?
The IUPAC name of 2-(4-methylthian-4-yl)ethanamine (CID 83815685) is 2-(4-methylthian-4-yl)ethanamine.
What is the SMILES notation for 2-(4-methylthian-4-yl)ethanamine?
The canonical SMILES for 2-(4-methylthian-4-yl)ethanamine is CC1(CCN)CCSCC1.
What is the InChIKey of 2-(4-methylthian-4-yl)ethanamine?
The InChIKey is MQPRQPNOQBYGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-8(2-5-9)3-6-10-7-4-8/h2-7,9H2,1H3.
What are the key properties of 2-(4-methylthian-4-yl)ethanamine?
2-(4-methylthian-4-yl)ethanamine has a molecular weight of 159.30 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylthian-4-yl)ethanamine is sourced from PubChem (CID 83815685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).