4-hept-2-en-2-ylthiomorpholine

C11H21NS — CID 123835104

IUPAC4-hept-2-en-2-ylthiomorpholine
SMILESCCCCC=C(C)N1CCSCC1
InChIInChI=1S/C11H21NS/c1-3-4-5-6-11(2)12-7-9-13-10-8-12/h6H,3-5,7-10H2,1-2H3
InChIKeySHXUKCOQKFEWFO-UHFFFAOYSA-N
MW199.36 g/mol
LogP3.13
Rot. Bonds4

About 4-hept-2-en-2-ylthiomorpholine

4-hept-2-en-2-ylthiomorpholine (PubChem CID 123835104) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 4-hept-2-en-2-ylthiomorpholine.

Molecular Properties

Compound Name4-hept-2-en-2-ylthiomorpholine
PubChem CID123835104
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name4-hept-2-en-2-ylthiomorpholine
SMILESCCCCC=C(C)N1CCSCC1
InChIInChI=1S/C11H21NS/c1-3-4-5-6-11(2)12-7-9-13-10-8-12/h6H,3-5,7-10H2,1-2H3
InChIKeySHXUKCOQKFEWFO-UHFFFAOYSA-N
XLogP3.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-hex-1-enyl]thiomorpholine
CID 12120956
4-(Cyclohexen-1-yl)thiomorpholine
CID 13999413
3-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[2,1-c][1,4]thiazine
CID 70584736
4-Pent-1-en-2-ylthiomorpholine
CID 89706674
4-[(E)-but-2-en-2-yl]thiomorpholine
CID 117661812
4-But-2-en-2-ylthiomorpholine
CID 123957364
4-[(E)-hex-2-en-2-yl]thiomorpholine
CID 129147699
4-(Cyclopenten-1-yl)thiomorpholine
CID 140237087
4-But-1-en-2-ylthiomorpholine;ethane
CID 141952831
4-[(Z)-pent-2-en-2-yl]thiomorpholine
CID 155305742
4-Methyl-2,3,6,7,8,8a-hexahydro-1,4-benzothiazine
CID 164090116
(E)-N-ethyl-N-(2-methylsulfanylethyl)pent-2-en-2-amine
CID 174137594

Frequently Asked Questions

What is the IUPAC name of 4-hept-2-en-2-ylthiomorpholine?
The IUPAC name of 4-hept-2-en-2-ylthiomorpholine (CID 123835104) is 4-hept-2-en-2-ylthiomorpholine.
What is the SMILES notation for 4-hept-2-en-2-ylthiomorpholine?
The canonical SMILES for 4-hept-2-en-2-ylthiomorpholine is CCCCC=C(C)N1CCSCC1.
What is the InChIKey of 4-hept-2-en-2-ylthiomorpholine?
The InChIKey is SHXUKCOQKFEWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-3-4-5-6-11(2)12-7-9-13-10-8-12/h6H,3-5,7-10H2,1-2H3.
What are the key properties of 4-hept-2-en-2-ylthiomorpholine?
4-hept-2-en-2-ylthiomorpholine has a molecular weight of 199.36 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hept-2-en-2-ylthiomorpholine is sourced from PubChem (CID 123835104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).