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

C12H22N2S — CID 66421917

IUPACN-prop-2-enyl-N-(2-thiomorpholin-3-ylethyl)prop-2-en-1-amine
SMILESC=CCN(CC=C)CCC1CSCCN1
InChIInChI=1S/C12H22N2S/c1-3-7-14(8-4-2)9-5-12-11-15-10-6-13-12/h3-4,12-13H,1-2,5-11H2
InChIKeyRCZXOAFLWBGKBJ-UHFFFAOYSA-N
MW226.39 g/mol
LogP1.76
Rot. Bonds7

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

N-prop-2-enyl-N-(2-thiomorpholin-3-ylethyl)prop-2-en-1-amine (PubChem CID 66421917) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is N-prop-2-enyl-N-(2-thiomorpholin-3-ylethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-prop-2-enyl-N-(2-thiomorpholin-3-ylethyl)prop-2-en-1-amine
PubChem CID66421917
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC NameN-prop-2-enyl-N-(2-thiomorpholin-3-ylethyl)prop-2-en-1-amine
SMILESC=CCN(CC=C)CCC1CSCCN1
InChIInChI=1S/C12H22N2S/c1-3-7-14(8-4-2)9-5-12-11-15-10-6-13-12/h3-4,12-13H,1-2,5-11H2
InChIKeyRCZXOAFLWBGKBJ-UHFFFAOYSA-N
XLogP1.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 51.76
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-prop-2-enyl-N-(2-thiomorpholin-3-ylethyl)prop-2-en-1-amine?
The IUPAC name of N-prop-2-enyl-N-(2-thiomorpholin-3-ylethyl)prop-2-en-1-amine (CID 66421917) is N-prop-2-enyl-N-(2-thiomorpholin-3-ylethyl)prop-2-en-1-amine.
What is the SMILES notation for N-prop-2-enyl-N-(2-thiomorpholin-3-ylethyl)prop-2-en-1-amine?
The canonical SMILES for N-prop-2-enyl-N-(2-thiomorpholin-3-ylethyl)prop-2-en-1-amine is C=CCN(CC=C)CCC1CSCCN1.
What is the InChIKey of N-prop-2-enyl-N-(2-thiomorpholin-3-ylethyl)prop-2-en-1-amine?
The InChIKey is RCZXOAFLWBGKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-3-7-14(8-4-2)9-5-12-11-15-10-6-13-12/h3-4,12-13H,1-2,5-11H2.
What are the key properties of N-prop-2-enyl-N-(2-thiomorpholin-3-ylethyl)prop-2-en-1-amine?
N-prop-2-enyl-N-(2-thiomorpholin-3-ylethyl)prop-2-en-1-amine has a molecular weight of 226.39 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N-(2-thiomorpholin-3-ylethyl)prop-2-en-1-amine is sourced from PubChem (CID 66421917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).