6-ethyl-6-methylthian-3-amine

C8H17NS — CID 91512839

IUPAC6-ethyl-6-methylthian-3-amine
SMILESCCC1(C)CCC(N)CS1
InChIInChI=1S/C8H17NS/c1-3-8(2)5-4-7(9)6-10-8/h7H,3-6,9H2,1-2H3
InChIKeyAVMMONCKACCJLT-UHFFFAOYSA-N
MW159.30 g/mol
LogP2.01
Rot. Bonds1

About 6-ethyl-6-methylthian-3-amine

6-ethyl-6-methylthian-3-amine (PubChem CID 91512839) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 6-ethyl-6-methylthian-3-amine.

Molecular Properties

Compound Name6-ethyl-6-methylthian-3-amine
PubChem CID91512839
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name6-ethyl-6-methylthian-3-amine
SMILESCCC1(C)CCC(N)CS1
InChIInChI=1S/C8H17NS/c1-3-8(2)5-4-7(9)6-10-8/h7H,3-6,9H2,1-2H3
InChIKeyAVMMONCKACCJLT-UHFFFAOYSA-N
XLogP2.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-6-methylthian-3-amine?
The IUPAC name of 6-ethyl-6-methylthian-3-amine (CID 91512839) is 6-ethyl-6-methylthian-3-amine.
What is the SMILES notation for 6-ethyl-6-methylthian-3-amine?
The canonical SMILES for 6-ethyl-6-methylthian-3-amine is CCC1(C)CCC(N)CS1.
What is the InChIKey of 6-ethyl-6-methylthian-3-amine?
The InChIKey is AVMMONCKACCJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-3-8(2)5-4-7(9)6-10-8/h7H,3-6,9H2,1-2H3.
What are the key properties of 6-ethyl-6-methylthian-3-amine?
6-ethyl-6-methylthian-3-amine has a molecular weight of 159.30 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-6-methylthian-3-amine is sourced from PubChem (CID 91512839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).