2-ethyl-4-methyl-2-thiomorpholin-4-ylhexan-1-amine

C13H28N2S — CID 43210643

IUPAC2-ethyl-4-methyl-2-thiomorpholin-4-ylhexan-1-amine
SMILESCCC(C)CC(CC)(CN)N1CCSCC1
InChIInChI=1S/C13H28N2S/c1-4-12(3)10-13(5-2,11-14)15-6-8-16-9-7-15/h12H,4-11,14H2,1-3H3
InChIKeyHKORJBIYDOAKKI-UHFFFAOYSA-N
MW244.45 g/mol
LogP2.58
Rot. Bonds6

About 2-ethyl-4-methyl-2-thiomorpholin-4-ylhexan-1-amine

2-ethyl-4-methyl-2-thiomorpholin-4-ylhexan-1-amine (PubChem CID 43210643) has the molecular formula C13H28N2S and a molecular weight of 244.45 g/mol. Its IUPAC name is 2-ethyl-4-methyl-2-thiomorpholin-4-ylhexan-1-amine.

Molecular Properties

Compound Name2-ethyl-4-methyl-2-thiomorpholin-4-ylhexan-1-amine
PubChem CID43210643
Molecular FormulaC13H28N2S
Molecular Weight244.45 g/mol
Exact Mass244.20
IUPAC Name2-ethyl-4-methyl-2-thiomorpholin-4-ylhexan-1-amine
SMILESCCC(C)CC(CC)(CN)N1CCSCC1
InChIInChI=1S/C13H28N2S/c1-4-12(3)10-13(5-2,11-14)15-6-8-16-9-7-15/h12H,4-11,14H2,1-3H3
InChIKeyHKORJBIYDOAKKI-UHFFFAOYSA-N
XLogP2.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-2-thiomorpholin-4-ylhexan-1-amine?
The IUPAC name of 2-ethyl-4-methyl-2-thiomorpholin-4-ylhexan-1-amine (CID 43210643) is 2-ethyl-4-methyl-2-thiomorpholin-4-ylhexan-1-amine.
What is the SMILES notation for 2-ethyl-4-methyl-2-thiomorpholin-4-ylhexan-1-amine?
The canonical SMILES for 2-ethyl-4-methyl-2-thiomorpholin-4-ylhexan-1-amine is CCC(C)CC(CC)(CN)N1CCSCC1.
What is the InChIKey of 2-ethyl-4-methyl-2-thiomorpholin-4-ylhexan-1-amine?
The InChIKey is HKORJBIYDOAKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2S/c1-4-12(3)10-13(5-2,11-14)15-6-8-16-9-7-15/h12H,4-11,14H2,1-3H3.
What are the key properties of 2-ethyl-4-methyl-2-thiomorpholin-4-ylhexan-1-amine?
2-ethyl-4-methyl-2-thiomorpholin-4-ylhexan-1-amine has a molecular weight of 244.45 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-2-thiomorpholin-4-ylhexan-1-amine is sourced from PubChem (CID 43210643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).