4-(3-hydroxypropylsulfanyl)pyrrolidin-3-ol

C7H15NO2S — CID 66126810

IUPAC4-(3-hydroxypropylsulfanyl)pyrrolidin-3-ol
SMILESOCCCSC1CNCC1O
InChIInChI=1S/C7H15NO2S/c9-2-1-3-11-7-5-8-4-6(7)10/h6-10H,1-5H2
InChIKeyRZGACUODBPVFPY-UHFFFAOYSA-N
MW177.27 g/mol
LogP-0.57
Rot. Bonds4

About 4-(3-hydroxypropylsulfanyl)pyrrolidin-3-ol

4-(3-hydroxypropylsulfanyl)pyrrolidin-3-ol (PubChem CID 66126810) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 4-(3-hydroxypropylsulfanyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name4-(3-hydroxypropylsulfanyl)pyrrolidin-3-ol
PubChem CID66126810
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name4-(3-hydroxypropylsulfanyl)pyrrolidin-3-ol
SMILESOCCCSC1CNCC1O
InChIInChI=1S/C7H15NO2S/c9-2-1-3-11-7-5-8-4-6(7)10/h6-10H,1-5H2
InChIKeyRZGACUODBPVFPY-UHFFFAOYSA-N
XLogP-0.57
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 4-(3-hydroxypropylsulfanyl)pyrrolidin-3-ol?
The IUPAC name of 4-(3-hydroxypropylsulfanyl)pyrrolidin-3-ol (CID 66126810) is 4-(3-hydroxypropylsulfanyl)pyrrolidin-3-ol.
What is the SMILES notation for 4-(3-hydroxypropylsulfanyl)pyrrolidin-3-ol?
The canonical SMILES for 4-(3-hydroxypropylsulfanyl)pyrrolidin-3-ol is OCCCSC1CNCC1O.
What is the InChIKey of 4-(3-hydroxypropylsulfanyl)pyrrolidin-3-ol?
The InChIKey is RZGACUODBPVFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c9-2-1-3-11-7-5-8-4-6(7)10/h6-10H,1-5H2.
What are the key properties of 4-(3-hydroxypropylsulfanyl)pyrrolidin-3-ol?
4-(3-hydroxypropylsulfanyl)pyrrolidin-3-ol has a molecular weight of 177.27 g/mol, XLogP of -0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypropylsulfanyl)pyrrolidin-3-ol is sourced from PubChem (CID 66126810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).