4-[(Z)-pent-2-en-2-yl]thiomorpholine

C9H17NS — CID 155305742

IUPAC4-[(Z)-pent-2-en-2-yl]thiomorpholine
SMILESCC/C=C(/C)N1CCSCC1
InChIInChI=1S/C9H17NS/c1-3-4-9(2)10-5-7-11-8-6-10/h4H,3,5-8H2,1-2H3/b9-4-
InChIKeyHCJCFTOFYPKPOM-WTKPLQERSA-N
MW171.31 g/mol
LogP2.35
Rot. Bonds2

About 4-[(Z)-pent-2-en-2-yl]thiomorpholine

4-[(Z)-pent-2-en-2-yl]thiomorpholine (PubChem CID 155305742) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 4-[(Z)-pent-2-en-2-yl]thiomorpholine.

Molecular Properties

Compound Name4-[(Z)-pent-2-en-2-yl]thiomorpholine
PubChem CID155305742
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name4-[(Z)-pent-2-en-2-yl]thiomorpholine
SMILESCC/C=C(/C)N1CCSCC1
InChIInChI=1S/C9H17NS/c1-3-4-9(2)10-5-7-11-8-6-10/h4H,3,5-8H2,1-2H3/b9-4-
InChIKeyHCJCFTOFYPKPOM-WTKPLQERSA-N
XLogP2.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-pent-2-en-2-yl]thiomorpholine?
The IUPAC name of 4-[(Z)-pent-2-en-2-yl]thiomorpholine (CID 155305742) is 4-[(Z)-pent-2-en-2-yl]thiomorpholine.
What is the SMILES notation for 4-[(Z)-pent-2-en-2-yl]thiomorpholine?
The canonical SMILES for 4-[(Z)-pent-2-en-2-yl]thiomorpholine is CC/C=C(/C)N1CCSCC1.
What is the InChIKey of 4-[(Z)-pent-2-en-2-yl]thiomorpholine?
The InChIKey is HCJCFTOFYPKPOM-WTKPLQERSA-N. The full InChI is InChI=1S/C9H17NS/c1-3-4-9(2)10-5-7-11-8-6-10/h4H,3,5-8H2,1-2H3/b9-4-.
What are the key properties of 4-[(Z)-pent-2-en-2-yl]thiomorpholine?
4-[(Z)-pent-2-en-2-yl]thiomorpholine has a molecular weight of 171.31 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-pent-2-en-2-yl]thiomorpholine is sourced from PubChem (CID 155305742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).