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

C10H19ClN2S — CID 106438355

IUPAC3-chloro-2-methyl-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine
SMILESCC(=CCl)CNCCN1CCSCC1
InChIInChI=1S/C10H19ClN2S/c1-10(8-11)9-12-2-3-13-4-6-14-7-5-13/h8,12H,2-7,9H2,1H3
InChIKeyVLTMGOIILTXPOQ-UHFFFAOYSA-N
MW234.80 g/mol
LogP1.77
Rot. Bonds5

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

3-chloro-2-methyl-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine (PubChem CID 106438355) has the molecular formula C10H19ClN2S and a molecular weight of 234.80 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine
PubChem CID106438355
Molecular FormulaC10H19ClN2S
Molecular Weight234.80 g/mol
Exact Mass234.10
IUPAC Name3-chloro-2-methyl-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine
SMILESCC(=CCl)CNCCN1CCSCC1
InChIInChI=1S/C10H19ClN2S/c1-10(8-11)9-12-2-3-13-4-6-14-7-5-13/h8,12H,2-7,9H2,1H3
InChIKeyVLTMGOIILTXPOQ-UHFFFAOYSA-N
XLogP1.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.80
LogP ≤ 51.77
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

1-(2-Methyl-3-methylsulfanylprop-2-enyl)piperazine
CID 123637088
N-ethyl-2-methyl-N-(thiomorpholin-3-ylmethyl)prop-2-en-1-amine
CID 82915654
2-methylidene-N-(2-thiomorpholin-4-ylethyl)butan-1-amine
CID 106325268
(E)-2,3-dichloro-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine
CID 106325328
2-methyl-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine
CID 106325435
(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
(E)-3-chloro-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine
CID 106325488
3-chloro-N-(1,4-dithian-2-ylmethyl)-2-methylprop-2-en-1-amine
CID 106438108
3-methyl-N-(2-thiomorpholin-4-ylethyl)but-2-en-1-amine
CID 106547166
N,2-dimethyl-N-(thiomorpholin-3-ylmethyl)prop-2-en-1-amine
CID 116288611
N-[2-(2,2-dimethylthiomorpholin-4-yl)ethyl]prop-2-en-1-amine
CID 116405340

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine?
The IUPAC name of 3-chloro-2-methyl-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine (CID 106438355) is 3-chloro-2-methyl-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine.
What is the SMILES notation for 3-chloro-2-methyl-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine?
The canonical SMILES for 3-chloro-2-methyl-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine is CC(=CCl)CNCCN1CCSCC1.
What is the InChIKey of 3-chloro-2-methyl-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine?
The InChIKey is VLTMGOIILTXPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN2S/c1-10(8-11)9-12-2-3-13-4-6-14-7-5-13/h8,12H,2-7,9H2,1H3.
What are the key properties of 3-chloro-2-methyl-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine?
3-chloro-2-methyl-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine has a molecular weight of 234.80 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine is sourced from PubChem (CID 106438355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).