2-[(2-ethylthiomorpholin-4-yl)methyl]prop-2-en-1-amine

C10H20N2S — CID 103071331

IUPAC2-[(2-ethylthiomorpholin-4-yl)methyl]prop-2-en-1-amine
SMILESC=C(CN)CN1CCSC(CC)C1
InChIInChI=1S/C10H20N2S/c1-3-10-8-12(4-5-13-10)7-9(2)6-11/h10H,2-8,11H2,1H3
InChIKeyTVJFDYFTRXFJDS-UHFFFAOYSA-N
MW200.35 g/mol
LogP1.33
Rot. Bonds4

About 2-[(2-ethylthiomorpholin-4-yl)methyl]prop-2-en-1-amine

2-[(2-ethylthiomorpholin-4-yl)methyl]prop-2-en-1-amine (PubChem CID 103071331) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 2-[(2-ethylthiomorpholin-4-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-[(2-ethylthiomorpholin-4-yl)methyl]prop-2-en-1-amine
PubChem CID103071331
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name2-[(2-ethylthiomorpholin-4-yl)methyl]prop-2-en-1-amine
SMILESC=C(CN)CN1CCSC(CC)C1
InChIInChI=1S/C10H20N2S/c1-3-10-8-12(4-5-13-10)7-9(2)6-11/h10H,2-8,11H2,1H3
InChIKeyTVJFDYFTRXFJDS-UHFFFAOYSA-N
XLogP1.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylthiomorpholin-4-yl)methyl]prop-2-en-1-amine?
The IUPAC name of 2-[(2-ethylthiomorpholin-4-yl)methyl]prop-2-en-1-amine (CID 103071331) is 2-[(2-ethylthiomorpholin-4-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for 2-[(2-ethylthiomorpholin-4-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for 2-[(2-ethylthiomorpholin-4-yl)methyl]prop-2-en-1-amine is C=C(CN)CN1CCSC(CC)C1.
What is the InChIKey of 2-[(2-ethylthiomorpholin-4-yl)methyl]prop-2-en-1-amine?
The InChIKey is TVJFDYFTRXFJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-3-10-8-12(4-5-13-10)7-9(2)6-11/h10H,2-8,11H2,1H3.
What are the key properties of 2-[(2-ethylthiomorpholin-4-yl)methyl]prop-2-en-1-amine?
2-[(2-ethylthiomorpholin-4-yl)methyl]prop-2-en-1-amine has a molecular weight of 200.35 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylthiomorpholin-4-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 103071331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).