N-(2-thiomorpholin-4-ylethyl)pent-4-en-1-amine

C11H22N2S — CID 106325564

IUPACN-(2-thiomorpholin-4-ylethyl)pent-4-en-1-amine
SMILESC=CCCCNCCN1CCSCC1
InChIInChI=1S/C11H22N2S/c1-2-3-4-5-12-6-7-13-8-10-14-11-9-13/h2,12H,1,3-11H2
InChIKeyOZGIKCMWFSCGGI-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.59
Rot. Bonds7

About N-(2-thiomorpholin-4-ylethyl)pent-4-en-1-amine

N-(2-thiomorpholin-4-ylethyl)pent-4-en-1-amine (PubChem CID 106325564) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is N-(2-thiomorpholin-4-ylethyl)pent-4-en-1-amine.

Molecular Properties

Compound NameN-(2-thiomorpholin-4-ylethyl)pent-4-en-1-amine
PubChem CID106325564
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC NameN-(2-thiomorpholin-4-ylethyl)pent-4-en-1-amine
SMILESC=CCCCNCCN1CCSCC1
InChIInChI=1S/C11H22N2S/c1-2-3-4-5-12-6-7-13-8-10-14-11-9-13/h2,12H,1,3-11H2
InChIKeyOZGIKCMWFSCGGI-UHFFFAOYSA-N
XLogP1.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Azane;2-prop-2-enylthiomorpholine
CID 66900119
2-Prop-2-enylthiomorpholine
CID 66900120
1-(Prop-2-enylsulfanylmethyl)piperazine
CID 68130499
1-(2,3-Dihydrothiophen-2-yl)piperazine
CID 68956121
2-(2-Prop-2-enylthiomorpholin-4-yl)ethanamine
CID 70523395
1-[3-(2,3-Dihydrothiophen-2-yl)propyl]piperazine
CID 163907024
1-[3-(2,3-Dihydrothiophen-5-yl)propyl]piperazine
CID 164033012
2-[2-[4-[2-(2-Aminoethylsulfanyl)ethyl]-2,5-bis(prop-2-enyl)piperazin-1-yl]ethylsulfanyl]ethanamine
CID 171080470
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
1-(4-Methylthiomorpholin-3-yl)but-3-en-1-amine
CID 103595865
N-(2-thiomorpholin-4-ylethyl)hex-5-en-2-amine
CID 104582421

Frequently Asked Questions

What is the IUPAC name of N-(2-thiomorpholin-4-ylethyl)pent-4-en-1-amine?
The IUPAC name of N-(2-thiomorpholin-4-ylethyl)pent-4-en-1-amine (CID 106325564) is N-(2-thiomorpholin-4-ylethyl)pent-4-en-1-amine.
What is the SMILES notation for N-(2-thiomorpholin-4-ylethyl)pent-4-en-1-amine?
The canonical SMILES for N-(2-thiomorpholin-4-ylethyl)pent-4-en-1-amine is C=CCCCNCCN1CCSCC1.
What is the InChIKey of N-(2-thiomorpholin-4-ylethyl)pent-4-en-1-amine?
The InChIKey is OZGIKCMWFSCGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-2-3-4-5-12-6-7-13-8-10-14-11-9-13/h2,12H,1,3-11H2.
What are the key properties of N-(2-thiomorpholin-4-ylethyl)pent-4-en-1-amine?
N-(2-thiomorpholin-4-ylethyl)pent-4-en-1-amine has a molecular weight of 214.38 g/mol, XLogP of 1.59, 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)pent-4-en-1-amine is sourced from PubChem (CID 106325564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).