N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine

C9H18N2S — CID 62574529

IUPACN-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine
SMILESC=CCNCCN1CCSCC1
InChIInChI=1S/C9H18N2S/c1-2-3-10-4-5-11-6-8-12-9-7-11/h2,10H,1,3-9H2
InChIKeyCPJKENWJCJGUHK-UHFFFAOYSA-N
MW186.32 g/mol
LogP0.81
Rot. Bonds5

About N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine

N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine (PubChem CID 62574529) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine
PubChem CID62574529
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC NameN-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine
SMILESC=CCNCCN1CCSCC1
InChIInChI=1S/C9H18N2S/c1-2-3-10-4-5-11-6-8-12-9-7-11/h2,10H,1,3-9H2
InChIKeyCPJKENWJCJGUHK-UHFFFAOYSA-N
XLogP0.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine?
The IUPAC name of N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine (CID 62574529) is N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine.
What is the SMILES notation for N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine?
The canonical SMILES for N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine is C=CCNCCN1CCSCC1.
What is the InChIKey of N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine?
The InChIKey is CPJKENWJCJGUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-2-3-10-4-5-11-6-8-12-9-7-11/h2,10H,1,3-9H2.
What are the key properties of N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine?
N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine has a molecular weight of 186.32 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine is sourced from PubChem (CID 62574529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).