4-[3,3-bis(ethylsulfanyl)prop-2-enyl]morpholine

C11H21NOS2 — CID 10868624

IUPAC4-[3,3-bis(ethylsulfanyl)prop-2-enyl]morpholine
SMILESCCSC(=CCN1CCOCC1)SCC
InChIInChI=1S/C11H21NOS2/c1-3-14-11(15-4-2)5-6-12-7-9-13-10-8-12/h5H,3-4,6-10H2,1-2H3
InChIKeyXZKGCMPOHZADTB-UHFFFAOYSA-N
MW247.43 g/mol
LogP2.67
Rot. Bonds6

About 4-[3,3-bis(ethylsulfanyl)prop-2-enyl]morpholine

4-[3,3-bis(ethylsulfanyl)prop-2-enyl]morpholine (PubChem CID 10868624) has the molecular formula C11H21NOS2 and a molecular weight of 247.43 g/mol. Its IUPAC name is 4-[3,3-bis(ethylsulfanyl)prop-2-enyl]morpholine.

Molecular Properties

Compound Name4-[3,3-bis(ethylsulfanyl)prop-2-enyl]morpholine
PubChem CID10868624
Molecular FormulaC11H21NOS2
Molecular Weight247.43 g/mol
Exact Mass247.11
IUPAC Name4-[3,3-bis(ethylsulfanyl)prop-2-enyl]morpholine
SMILESCCSC(=CCN1CCOCC1)SCC
InChIInChI=1S/C11H21NOS2/c1-3-14-11(15-4-2)5-6-12-7-9-13-10-8-12/h5H,3-4,6-10H2,1-2H3
InChIKeyXZKGCMPOHZADTB-UHFFFAOYSA-N
XLogP2.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[3,3-bis(ethylsulfanyl)prop-2-enyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-2,3-dimethyl-5-morpholin-4-ylpent-3-en-2-ol
CID 101251374
4-[(E)-but-2-enyl]morpholine
CID 10909666
4-(3-methylsulfanylprop-2-enyl)morpholine
CID 123758851
4-[(Z)-non-2-enyl]morpholine
CID 101051916
4-(6-morpholin-4-ylhexa-2,4-dienyl)morpholine
CID 53425931
2-morpholin-4-ylacetaldehyde
CID 59310625
4-[(E)-4-bromobut-2-enyl]morpholine
CID 118035457
4-[(E)-4-iodobut-2-enyl]morpholine
CID 118533798
4-ethylmorpholine;formic acid
CID 158286088
4-ethylmorpholine;hydron
CID 174383624
astatane;4-ethylmorpholine
CID 174883073
4-(3-ethylsulfonylprop-2-enyl)morpholine
CID 123509713

Frequently Asked Questions

What is the IUPAC name of 4-[3,3-bis(ethylsulfanyl)prop-2-enyl]morpholine?
The IUPAC name of 4-[3,3-bis(ethylsulfanyl)prop-2-enyl]morpholine (CID 10868624) is 4-[3,3-bis(ethylsulfanyl)prop-2-enyl]morpholine.
What is the SMILES notation for 4-[3,3-bis(ethylsulfanyl)prop-2-enyl]morpholine?
The canonical SMILES for 4-[3,3-bis(ethylsulfanyl)prop-2-enyl]morpholine is CCSC(=CCN1CCOCC1)SCC.
What is the InChIKey of 4-[3,3-bis(ethylsulfanyl)prop-2-enyl]morpholine?
The InChIKey is XZKGCMPOHZADTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS2/c1-3-14-11(15-4-2)5-6-12-7-9-13-10-8-12/h5H,3-4,6-10H2,1-2H3.
What are the key properties of 4-[3,3-bis(ethylsulfanyl)prop-2-enyl]morpholine?
4-[3,3-bis(ethylsulfanyl)prop-2-enyl]morpholine has a molecular weight of 247.43 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,3-bis(ethylsulfanyl)prop-2-enyl]morpholine is sourced from PubChem (CID 10868624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).