4-prop-1-enylthiomorpholine

C7H13NS — CID 152718459

IUPAC4-prop-1-enylthiomorpholine
SMILESCC=CN1CCSCC1
InChIInChI=1S/C7H13NS/c1-2-3-8-4-6-9-7-5-8/h2-3H,4-7H2,1H3
InChIKeyZVCNRKKHYIBFQP-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.57
Rot. Bonds1

About 4-prop-1-enylthiomorpholine

4-prop-1-enylthiomorpholine (PubChem CID 152718459) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 4-prop-1-enylthiomorpholine.

Molecular Properties

Compound Name4-prop-1-enylthiomorpholine
PubChem CID152718459
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name4-prop-1-enylthiomorpholine
SMILESCC=CN1CCSCC1
InChIInChI=1S/C7H13NS/c1-2-3-8-4-6-9-7-5-8/h2-3H,4-7H2,1H3
InChIKeyZVCNRKKHYIBFQP-UHFFFAOYSA-N
XLogP1.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-Propen-1-yl)thiomorpholine
CID 12517935
4-[(E)-hex-1-enyl]thiomorpholine
CID 12120956
N,N-Dimethyl-3-(methylsulfanyl)prop-1-en-1-amine
CID 71325923
4-Ethenylthiomorpholine
CID 59288968
4-Methyl-3-methylidenethiomorpholine
CID 59520043
3-Thiomorpholin-4-ylprop-1-en-1-amine
CID 66900121
3-Methyl-2,6-dihydro-1,3-thiazine
CID 89789622
4-[(E)-but-2-en-2-yl]thiomorpholine
CID 117661812
2,3-Dimethyl-2,6-dihydro-1,3-thiazine
CID 118030869
3-Ethyl-2-methyl-2,6-dihydro-1,3-thiazine
CID 123538834
4-But-2-en-2-ylthiomorpholine
CID 123957364
2,4-Dimethyl-1,4-thiazine
CID 138478354

Frequently Asked Questions

What is the IUPAC name of 4-prop-1-enylthiomorpholine?
The IUPAC name of 4-prop-1-enylthiomorpholine (CID 152718459) is 4-prop-1-enylthiomorpholine.
What is the SMILES notation for 4-prop-1-enylthiomorpholine?
The canonical SMILES for 4-prop-1-enylthiomorpholine is CC=CN1CCSCC1.
What is the InChIKey of 4-prop-1-enylthiomorpholine?
The InChIKey is ZVCNRKKHYIBFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-2-3-8-4-6-9-7-5-8/h2-3H,4-7H2,1H3.
What are the key properties of 4-prop-1-enylthiomorpholine?
4-prop-1-enylthiomorpholine has a molecular weight of 143.25 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-1-enylthiomorpholine is sourced from PubChem (CID 152718459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).