[1-ethyl-4-(3-methylthiomorpholin-4-yl)azepan-4-yl]methanamine

C14H29N3S — CID 65076182

IUPAC[1-ethyl-4-(3-methylthiomorpholin-4-yl)azepan-4-yl]methanamine
SMILESCCN1CCCC(CN)(N2CCSCC2C)CC1
InChIInChI=1S/C14H29N3S/c1-3-16-7-4-5-14(12-15,6-8-16)17-9-10-18-11-13(17)2/h13H,3-12,15H2,1-2H3
InChIKeyUOZMUXURFHQWLF-UHFFFAOYSA-N
MW271.47 g/mol
LogP1.63
Rot. Bonds3

About [1-ethyl-4-(3-methylthiomorpholin-4-yl)azepan-4-yl]methanamine

[1-ethyl-4-(3-methylthiomorpholin-4-yl)azepan-4-yl]methanamine (PubChem CID 65076182) has the molecular formula C14H29N3S and a molecular weight of 271.47 g/mol. Its IUPAC name is [1-ethyl-4-(3-methylthiomorpholin-4-yl)azepan-4-yl]methanamine.

Molecular Properties

Compound Name[1-ethyl-4-(3-methylthiomorpholin-4-yl)azepan-4-yl]methanamine
PubChem CID65076182
Molecular FormulaC14H29N3S
Molecular Weight271.47 g/mol
Exact Mass271.21
IUPAC Name[1-ethyl-4-(3-methylthiomorpholin-4-yl)azepan-4-yl]methanamine
SMILESCCN1CCCC(CN)(N2CCSCC2C)CC1
InChIInChI=1S/C14H29N3S/c1-3-16-7-4-5-14(12-15,6-8-16)17-9-10-18-11-13(17)2/h13H,3-12,15H2,1-2H3
InChIKeyUOZMUXURFHQWLF-UHFFFAOYSA-N
XLogP1.63
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-4-(3-methylthiomorpholin-4-yl)azepan-4-yl]methanamine?
The IUPAC name of [1-ethyl-4-(3-methylthiomorpholin-4-yl)azepan-4-yl]methanamine (CID 65076182) is [1-ethyl-4-(3-methylthiomorpholin-4-yl)azepan-4-yl]methanamine.
What is the SMILES notation for [1-ethyl-4-(3-methylthiomorpholin-4-yl)azepan-4-yl]methanamine?
The canonical SMILES for [1-ethyl-4-(3-methylthiomorpholin-4-yl)azepan-4-yl]methanamine is CCN1CCCC(CN)(N2CCSCC2C)CC1.
What is the InChIKey of [1-ethyl-4-(3-methylthiomorpholin-4-yl)azepan-4-yl]methanamine?
The InChIKey is UOZMUXURFHQWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3S/c1-3-16-7-4-5-14(12-15,6-8-16)17-9-10-18-11-13(17)2/h13H,3-12,15H2,1-2H3.
What are the key properties of [1-ethyl-4-(3-methylthiomorpholin-4-yl)azepan-4-yl]methanamine?
[1-ethyl-4-(3-methylthiomorpholin-4-yl)azepan-4-yl]methanamine has a molecular weight of 271.47 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-4-(3-methylthiomorpholin-4-yl)azepan-4-yl]methanamine is sourced from PubChem (CID 65076182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).