5-(nonylsulfanylmethyl)pyrrolidine-2,3,4-triol

C14H29NO3S — CID 71115992

IUPAC5-(nonylsulfanylmethyl)pyrrolidine-2,3,4-triol
SMILESCCCCCCCCCSCC1NC(O)C(O)C1O
InChIInChI=1S/C14H29NO3S/c1-2-3-4-5-6-7-8-9-19-10-11-12(16)13(17)14(18)15-11/h11-18H,2-10H2,1H3
InChIKeySTEUXKIHKZOSLK-UHFFFAOYSA-N
MW291.46 g/mol
LogP1.48
Rot. Bonds10

About 5-(nonylsulfanylmethyl)pyrrolidine-2,3,4-triol

5-(nonylsulfanylmethyl)pyrrolidine-2,3,4-triol (PubChem CID 71115992) has the molecular formula C14H29NO3S and a molecular weight of 291.46 g/mol. Its IUPAC name is 5-(nonylsulfanylmethyl)pyrrolidine-2,3,4-triol.

Molecular Properties

Compound Name5-(nonylsulfanylmethyl)pyrrolidine-2,3,4-triol
PubChem CID71115992
Molecular FormulaC14H29NO3S
Molecular Weight291.46 g/mol
Exact Mass291.19
IUPAC Name5-(nonylsulfanylmethyl)pyrrolidine-2,3,4-triol
SMILESCCCCCCCCCSCC1NC(O)C(O)C1O
InChIInChI=1S/C14H29NO3S/c1-2-3-4-5-6-7-8-9-19-10-11-12(16)13(17)14(18)15-11/h11-18H,2-10H2,1H3
InChIKeySTEUXKIHKZOSLK-UHFFFAOYSA-N
XLogP1.48
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 51.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(nonylsulfanylmethyl)pyrrolidine-2,3,4-triol?
The IUPAC name of 5-(nonylsulfanylmethyl)pyrrolidine-2,3,4-triol (CID 71115992) is 5-(nonylsulfanylmethyl)pyrrolidine-2,3,4-triol.
What is the SMILES notation for 5-(nonylsulfanylmethyl)pyrrolidine-2,3,4-triol?
The canonical SMILES for 5-(nonylsulfanylmethyl)pyrrolidine-2,3,4-triol is CCCCCCCCCSCC1NC(O)C(O)C1O.
What is the InChIKey of 5-(nonylsulfanylmethyl)pyrrolidine-2,3,4-triol?
The InChIKey is STEUXKIHKZOSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3S/c1-2-3-4-5-6-7-8-9-19-10-11-12(16)13(17)14(18)15-11/h11-18H,2-10H2,1H3.
What are the key properties of 5-(nonylsulfanylmethyl)pyrrolidine-2,3,4-triol?
5-(nonylsulfanylmethyl)pyrrolidine-2,3,4-triol has a molecular weight of 291.46 g/mol, XLogP of 1.48, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(nonylsulfanylmethyl)pyrrolidine-2,3,4-triol is sourced from PubChem (CID 71115992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).