N-ethyl-2-methyl-N-(2-thiomorpholin-3-ylethyl)prop-2-en-1-amine

C12H24N2S — CID 66421328

IUPACN-ethyl-2-methyl-N-(2-thiomorpholin-3-ylethyl)prop-2-en-1-amine
SMILESC=C(C)CN(CC)CCC1CSCCN1
InChIInChI=1S/C12H24N2S/c1-4-14(9-11(2)3)7-5-12-10-15-8-6-13-12/h12-13H,2,4-10H2,1,3H3
InChIKeyAHYPXYNZSGKHGS-UHFFFAOYSA-N
MW228.40 g/mol
LogP1.98
Rot. Bonds6

About N-ethyl-2-methyl-N-(2-thiomorpholin-3-ylethyl)prop-2-en-1-amine

N-ethyl-2-methyl-N-(2-thiomorpholin-3-ylethyl)prop-2-en-1-amine (PubChem CID 66421328) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-(2-thiomorpholin-3-ylethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-(2-thiomorpholin-3-ylethyl)prop-2-en-1-amine
PubChem CID66421328
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC NameN-ethyl-2-methyl-N-(2-thiomorpholin-3-ylethyl)prop-2-en-1-amine
SMILESC=C(C)CN(CC)CCC1CSCCN1
InChIInChI=1S/C12H24N2S/c1-4-14(9-11(2)3)7-5-12-10-15-8-6-13-12/h12-13H,2,4-10H2,1,3H3
InChIKeyAHYPXYNZSGKHGS-UHFFFAOYSA-N
XLogP1.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 51.98
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 N-ethyl-2-methyl-N-(2-thiomorpholin-3-ylethyl)prop-2-en-1-amine?
The IUPAC name of N-ethyl-2-methyl-N-(2-thiomorpholin-3-ylethyl)prop-2-en-1-amine (CID 66421328) is N-ethyl-2-methyl-N-(2-thiomorpholin-3-ylethyl)prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-N-(2-thiomorpholin-3-ylethyl)prop-2-en-1-amine?
The canonical SMILES for N-ethyl-2-methyl-N-(2-thiomorpholin-3-ylethyl)prop-2-en-1-amine is C=C(C)CN(CC)CCC1CSCCN1.
What is the InChIKey of N-ethyl-2-methyl-N-(2-thiomorpholin-3-ylethyl)prop-2-en-1-amine?
The InChIKey is AHYPXYNZSGKHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-4-14(9-11(2)3)7-5-12-10-15-8-6-13-12/h12-13H,2,4-10H2,1,3H3.
What are the key properties of N-ethyl-2-methyl-N-(2-thiomorpholin-3-ylethyl)prop-2-en-1-amine?
N-ethyl-2-methyl-N-(2-thiomorpholin-3-ylethyl)prop-2-en-1-amine has a molecular weight of 228.40 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-(2-thiomorpholin-3-ylethyl)prop-2-en-1-amine is sourced from PubChem (CID 66421328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).