N-(2-thiomorpholin-4-ylethyl)hex-5-en-2-amine

C12H24N2S — CID 104582421

IUPACN-(2-thiomorpholin-4-ylethyl)hex-5-en-2-amine
SMILESC=CCCC(C)NCCN1CCSCC1
InChIInChI=1S/C12H24N2S/c1-3-4-5-12(2)13-6-7-14-8-10-15-11-9-14/h3,12-13H,1,4-11H2,2H3
InChIKeyCGNDCBOSMBUCPI-UHFFFAOYSA-N
MW228.40 g/mol
LogP1.98
Rot. Bonds7

About N-(2-thiomorpholin-4-ylethyl)hex-5-en-2-amine

N-(2-thiomorpholin-4-ylethyl)hex-5-en-2-amine (PubChem CID 104582421) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is N-(2-thiomorpholin-4-ylethyl)hex-5-en-2-amine.

Molecular Properties

Compound NameN-(2-thiomorpholin-4-ylethyl)hex-5-en-2-amine
PubChem CID104582421
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC NameN-(2-thiomorpholin-4-ylethyl)hex-5-en-2-amine
SMILESC=CCCC(C)NCCN1CCSCC1
InChIInChI=1S/C12H24N2S/c1-3-4-5-12(2)13-6-7-14-8-10-15-11-9-14/h3,12-13H,1,4-11H2,2H3
InChIKeyCGNDCBOSMBUCPI-UHFFFAOYSA-N
XLogP1.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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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Related Compounds

2-(2-Prop-2-enylthiomorpholin-4-yl)ethanamine
CID 70523395
1-[3-(2,3-Dihydrothiophen-2-yl)propyl]piperazine
CID 163907024
2-[2-[4-[2-(2-Aminoethylsulfanyl)ethyl]-2,5-bis(prop-2-enyl)piperazin-1-yl]ethylsulfanyl]ethanamine
CID 171080470
N-prop-2-enyl-2-thiomorpholin-4-ylpropan-1-amine
CID 62558854
2-(3-methylthiomorpholin-4-yl)-N-prop-2-enylpropan-1-amine
CID 64052023
N-[2-(3-methylthiomorpholin-4-yl)ethyl]prop-2-en-1-amine
CID 64052425
2-(2,6-dimethylthiomorpholin-4-yl)-N-prop-2-enylpropan-1-amine
CID 64117863
N-[2-(2,6-dimethylthiomorpholin-4-yl)ethyl]prop-2-en-1-amine
CID 64120053
1-ethylsulfanyl-N-propylhex-5-en-2-amine
CID 65127489
N-ethyl-1-ethylsulfanylhex-5-en-2-amine
CID 65128345
N-ethyl-1-propylsulfanylhex-5-en-2-amine
CID 65128813
N-propyl-1-propylsulfanylhex-5-en-2-amine
CID 65128879

Frequently Asked Questions

What is the IUPAC name of N-(2-thiomorpholin-4-ylethyl)hex-5-en-2-amine?
The IUPAC name of N-(2-thiomorpholin-4-ylethyl)hex-5-en-2-amine (CID 104582421) is N-(2-thiomorpholin-4-ylethyl)hex-5-en-2-amine.
What is the SMILES notation for N-(2-thiomorpholin-4-ylethyl)hex-5-en-2-amine?
The canonical SMILES for N-(2-thiomorpholin-4-ylethyl)hex-5-en-2-amine is C=CCCC(C)NCCN1CCSCC1.
What is the InChIKey of N-(2-thiomorpholin-4-ylethyl)hex-5-en-2-amine?
The InChIKey is CGNDCBOSMBUCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-3-4-5-12(2)13-6-7-14-8-10-15-11-9-14/h3,12-13H,1,4-11H2,2H3.
What are the key properties of N-(2-thiomorpholin-4-ylethyl)hex-5-en-2-amine?
N-(2-thiomorpholin-4-ylethyl)hex-5-en-2-amine has a molecular weight of 228.40 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiomorpholin-4-ylethyl)hex-5-en-2-amine is sourced from PubChem (CID 104582421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).