4-but-2-en-2-ylthiomorpholine

C8H15NS — CID 123957364

IUPAC4-but-2-en-2-ylthiomorpholine
SMILESCC=C(C)N1CCSCC1
InChIInChI=1S/C8H15NS/c1-3-8(2)9-4-6-10-7-5-9/h3H,4-7H2,1-2H3
InChIKeyRPEUJNANDCXAKU-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.96
Rot. Bonds1

About 4-but-2-en-2-ylthiomorpholine

4-but-2-en-2-ylthiomorpholine (PubChem CID 123957364) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 4-but-2-en-2-ylthiomorpholine.

Molecular Properties

Compound Name4-but-2-en-2-ylthiomorpholine
PubChem CID123957364
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name4-but-2-en-2-ylthiomorpholine
SMILESCC=C(C)N1CCSCC1
InChIInChI=1S/C8H15NS/c1-3-8(2)9-4-6-10-7-5-9/h3H,4-7H2,1-2H3
InChIKeyRPEUJNANDCXAKU-UHFFFAOYSA-N
XLogP1.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methyl-3-methylidenethiomorpholine
CID 59520043
4,5-Dimethyl-2,3-dihydro-1,4-thiazine
CID 59751939
3-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[2,1-c][1,4]thiazine
CID 70584736
4-Methyl-2,3-dimethylidenethiomorpholine
CID 89047027
4,4-Dimethyl-2,3-dimethylidenethiomorpholin-4-ium
CID 89047071
Ethane;4-methyl-3-methylidenethiomorpholine
CID 91055577
4-[(E)-but-2-en-2-yl]thiomorpholine
CID 117661812
4-Hept-2-en-2-ylthiomorpholine
CID 123835104
4-But-2-en-2-yl-1,4-thiazinane 1,1-dioxide
CID 123875902
4-[(E)-hex-2-en-2-yl]thiomorpholine
CID 129147699
2,4,5-trimethyl-7H-1,4-thiazepine
CID 130329957
(2E,4E)-5-thiomorpholin-4-ylhepta-2,4,6-triene-2-thiol
CID 141773832

Frequently Asked Questions

What is the IUPAC name of 4-but-2-en-2-ylthiomorpholine?
The IUPAC name of 4-but-2-en-2-ylthiomorpholine (CID 123957364) is 4-but-2-en-2-ylthiomorpholine.
What is the SMILES notation for 4-but-2-en-2-ylthiomorpholine?
The canonical SMILES for 4-but-2-en-2-ylthiomorpholine is CC=C(C)N1CCSCC1.
What is the InChIKey of 4-but-2-en-2-ylthiomorpholine?
The InChIKey is RPEUJNANDCXAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-3-8(2)9-4-6-10-7-5-9/h3H,4-7H2,1-2H3.
What are the key properties of 4-but-2-en-2-ylthiomorpholine?
4-but-2-en-2-ylthiomorpholine has a molecular weight of 157.28 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-2-en-2-ylthiomorpholine is sourced from PubChem (CID 123957364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).