4-(3-methylsulfanylpropyl)morpholine

C8H17NOS — CID 2247110

IUPAC4-(3-methylsulfanylpropyl)morpholine
SMILESCSCCCN1CCOCC1
InChIInChI=1S/C8H17NOS/c1-11-8-2-3-9-4-6-10-7-5-9/h2-8H2,1H3
InChIKeyODWGKWSTUATCOV-UHFFFAOYSA-N
MW175.30 g/mol
LogP1.07
Rot. Bonds4

About 4-(3-methylsulfanylpropyl)morpholine

4-(3-methylsulfanylpropyl)morpholine (PubChem CID 2247110) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 4-(3-methylsulfanylpropyl)morpholine.

Molecular Properties

Compound Name4-(3-methylsulfanylpropyl)morpholine
PubChem CID2247110
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name4-(3-methylsulfanylpropyl)morpholine
SMILESCSCCCN1CCOCC1
InChIInChI=1S/C8H17NOS/c1-11-8-2-3-9-4-6-10-7-5-9/h2-8H2,1H3
InChIKeyODWGKWSTUATCOV-UHFFFAOYSA-N
XLogP1.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-(3-methylsulfanylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 115647631
1-(3-methylsulfanylpropyl)piperazine
CID 61057069
16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 15145347
butane;4-butylmorpholine
CID 177152600
4-hexylmorpholine
CID 3614751
4-(3-bromopropyl)morpholine
CID 13034048
1-[1-(3-methylsulfanylpropyl)piperidin-4-yl]ethanamine
CID 63597070
ethane;4-morpholin-4-ylbutan-1-ol
CID 162683886
N-methyl-1-(3-methylsulfanylpropyl)piperidin-4-amine
CID 63965650
4-methylsulfanyl-N-(1-morpholin-4-ylpropan-2-yl)butan-1-amine
CID 103087400
4-[2-(4-methylpiperazin-1-yl)ethyl]morpholine
CID 20719664
4-(2-hydroxysulfanylethyl)morpholine
CID 166162246

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylsulfanylpropyl)morpholine?
The IUPAC name of 4-(3-methylsulfanylpropyl)morpholine (CID 2247110) is 4-(3-methylsulfanylpropyl)morpholine.
What is the SMILES notation for 4-(3-methylsulfanylpropyl)morpholine?
The canonical SMILES for 4-(3-methylsulfanylpropyl)morpholine is CSCCCN1CCOCC1.
What is the InChIKey of 4-(3-methylsulfanylpropyl)morpholine?
The InChIKey is ODWGKWSTUATCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-11-8-2-3-9-4-6-10-7-5-9/h2-8H2,1H3.
What are the key properties of 4-(3-methylsulfanylpropyl)morpholine?
4-(3-methylsulfanylpropyl)morpholine has a molecular weight of 175.30 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylsulfanylpropyl)morpholine is sourced from PubChem (CID 2247110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).