(E)-3-chloro-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine

C9H17ClN2S — CID 106325488

IUPAC(E)-3-chloro-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine
SMILESCl/C=C/CNCCN1CCSCC1
InChIInChI=1S/C9H17ClN2S/c10-2-1-3-11-4-5-12-6-8-13-9-7-12/h1-2,11H,3-9H2/b2-1+
InChIKeyYLNWAUPQOGUTRH-OWOJBTEDSA-N
MW220.77 g/mol
LogP1.38
Rot. Bonds5

About (E)-3-chloro-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine

(E)-3-chloro-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine (PubChem CID 106325488) has the molecular formula C9H17ClN2S and a molecular weight of 220.77 g/mol. Its IUPAC name is (E)-3-chloro-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-chloro-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine
PubChem CID106325488
Molecular FormulaC9H17ClN2S
Molecular Weight220.77 g/mol
Exact Mass220.08
IUPAC Name(E)-3-chloro-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine
SMILESCl/C=C/CNCCN1CCSCC1
InChIInChI=1S/C9H17ClN2S/c10-2-1-3-11-4-5-12-6-8-13-9-7-12/h1-2,11H,3-9H2/b2-1+
InChIKeyYLNWAUPQOGUTRH-OWOJBTEDSA-N
XLogP1.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.77
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine
CID 62574529
N-[2-(2,6-dimethylthiomorpholin-4-yl)ethyl]prop-2-en-1-amine
CID 64120053
(E)-N-(2-thiomorpholin-4-ylethyl)but-2-en-1-amine
CID 106325116
(E)-2,3-dichloro-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine
CID 106325328
(E)-4-chloro-N-(2-thiomorpholin-4-ylethyl)but-2-en-1-amine
CID 106325442
2-chloro-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine
CID 106325449
2-(4-methylpiperazin-1-yl)-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 106427519
1-(2-Prop-2-enylsulfanylethyl)piperazine
CID 106429747
3-chloro-2-methyl-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine
CID 106438355
N-[2-(2-methylthiomorpholin-4-yl)ethyl]prop-2-en-1-amine
CID 116321188

Frequently Asked Questions

What is the IUPAC name of (E)-3-chloro-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-chloro-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine (CID 106325488) is (E)-3-chloro-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-chloro-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-chloro-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine is Cl/C=C/CNCCN1CCSCC1.
What is the InChIKey of (E)-3-chloro-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine?
The InChIKey is YLNWAUPQOGUTRH-OWOJBTEDSA-N. The full InChI is InChI=1S/C9H17ClN2S/c10-2-1-3-11-4-5-12-6-8-13-9-7-12/h1-2,11H,3-9H2/b2-1+.
What are the key properties of (E)-3-chloro-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine?
(E)-3-chloro-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine has a molecular weight of 220.77 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-chloro-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine is sourced from PubChem (CID 106325488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).