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

C11H22N2S — CID 82915654

IUPACN-ethyl-2-methyl-N-(thiomorpholin-3-ylmethyl)prop-2-en-1-amine
SMILESC=C(C)CN(CC)CC1CSCCN1
InChIInChI=1S/C11H22N2S/c1-4-13(7-10(2)3)8-11-9-14-6-5-12-11/h11-12H,2,4-9H2,1,3H3
InChIKeyZEPFVLMRRFEQPK-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.59
Rot. Bonds5

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

N-ethyl-2-methyl-N-(thiomorpholin-3-ylmethyl)prop-2-en-1-amine (PubChem CID 82915654) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-(thiomorpholin-3-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-(thiomorpholin-3-ylmethyl)prop-2-en-1-amine
PubChem CID82915654
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC NameN-ethyl-2-methyl-N-(thiomorpholin-3-ylmethyl)prop-2-en-1-amine
SMILESC=C(C)CN(CC)CC1CSCCN1
InChIInChI=1S/C11H22N2S/c1-4-13(7-10(2)3)8-11-9-14-6-5-12-11/h11-12H,2,4-9H2,1,3H3
InChIKeyZEPFVLMRRFEQPK-UHFFFAOYSA-N
XLogP1.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.59
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-(thiomorpholin-3-ylmethyl)prop-2-en-1-amine?
The IUPAC name of N-ethyl-2-methyl-N-(thiomorpholin-3-ylmethyl)prop-2-en-1-amine (CID 82915654) is N-ethyl-2-methyl-N-(thiomorpholin-3-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-N-(thiomorpholin-3-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for N-ethyl-2-methyl-N-(thiomorpholin-3-ylmethyl)prop-2-en-1-amine is C=C(C)CN(CC)CC1CSCCN1.
What is the InChIKey of N-ethyl-2-methyl-N-(thiomorpholin-3-ylmethyl)prop-2-en-1-amine?
The InChIKey is ZEPFVLMRRFEQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-4-13(7-10(2)3)8-11-9-14-6-5-12-11/h11-12H,2,4-9H2,1,3H3.
What are the key properties of N-ethyl-2-methyl-N-(thiomorpholin-3-ylmethyl)prop-2-en-1-amine?
N-ethyl-2-methyl-N-(thiomorpholin-3-ylmethyl)prop-2-en-1-amine has a molecular weight of 214.38 g/mol, XLogP of 1.59, 5 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-(thiomorpholin-3-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 82915654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).