4-pentylsulfanylmorpholine

C9H19NOS — CID 134928902

IUPAC4-pentylsulfanylmorpholine
SMILESCCCCCSN1CCOCC1
InChIInChI=1S/C9H19NOS/c1-2-3-4-9-12-10-5-7-11-8-6-10/h2-9H2,1H3
InChIKeyIXQOMZRAUJHGMN-UHFFFAOYSA-N
MW189.32 g/mol
LogP2.16
Rot. Bonds5

About 4-pentylsulfanylmorpholine

4-pentylsulfanylmorpholine (PubChem CID 134928902) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 4-pentylsulfanylmorpholine.

Molecular Properties

Compound Name4-pentylsulfanylmorpholine
PubChem CID134928902
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name4-pentylsulfanylmorpholine
SMILESCCCCCSN1CCOCC1
InChIInChI=1S/C9H19NOS/c1-2-3-4-9-12-10-5-7-11-8-6-10/h2-9H2,1H3
InChIKeyIXQOMZRAUJHGMN-UHFFFAOYSA-N
XLogP2.16
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis(decylsulfanyl)piperazine
CID 163559724
4-(hexylsulfanylmethyl)morpholine
CID 141157858
ethane;4-ethylsulfanylmorpholine
CID 177159811
4-hex-1-ynylsulfanylmorpholine
CID 11521268
1,4-dioxane;tetradecane
CID 159034856
4-hexadecan-8-ylmorpholine
CID 126489366
4-hexylmorpholine
CID 3614751
1-butylsulfanyl-4-phenylpiperazine
CID 91602178
butane;4-butylmorpholine
CID 177152600
1-butylpyrrolidine;1,4-dioxane
CID 159502773
4-prop-2-enylsulfanylmorpholine
CID 134892146
N-tetradecylmorpholin-4-amine;hydrobromide
CID 174875915

Frequently Asked Questions

What is the IUPAC name of 4-pentylsulfanylmorpholine?
The IUPAC name of 4-pentylsulfanylmorpholine (CID 134928902) is 4-pentylsulfanylmorpholine.
What is the SMILES notation for 4-pentylsulfanylmorpholine?
The canonical SMILES for 4-pentylsulfanylmorpholine is CCCCCSN1CCOCC1.
What is the InChIKey of 4-pentylsulfanylmorpholine?
The InChIKey is IXQOMZRAUJHGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-2-3-4-9-12-10-5-7-11-8-6-10/h2-9H2,1H3.
What are the key properties of 4-pentylsulfanylmorpholine?
4-pentylsulfanylmorpholine has a molecular weight of 189.32 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentylsulfanylmorpholine is sourced from PubChem (CID 134928902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).