3-pyrrolidin-3-ylsulfanylpropan-1-ol

C7H15NOS — CID 66127251

IUPAC3-pyrrolidin-3-ylsulfanylpropan-1-ol
SMILESOCCCSC1CCNC1
InChIInChI=1S/C7H15NOS/c9-4-1-5-10-7-2-3-8-6-7/h7-9H,1-6H2
InChIKeyUPKIZERBQDMGMI-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.46
Rot. Bonds4

About 3-pyrrolidin-3-ylsulfanylpropan-1-ol

3-pyrrolidin-3-ylsulfanylpropan-1-ol (PubChem CID 66127251) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 3-pyrrolidin-3-ylsulfanylpropan-1-ol.

Molecular Properties

Compound Name3-pyrrolidin-3-ylsulfanylpropan-1-ol
PubChem CID66127251
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name3-pyrrolidin-3-ylsulfanylpropan-1-ol
SMILESOCCCSC1CCNC1
InChIInChI=1S/C7H15NOS/c9-4-1-5-10-7-2-3-8-6-7/h7-9H,1-6H2
InChIKeyUPKIZERBQDMGMI-UHFFFAOYSA-N
XLogP0.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-pyrrolidin-3-ylsulfanylpropan-1-ol?
The IUPAC name of 3-pyrrolidin-3-ylsulfanylpropan-1-ol (CID 66127251) is 3-pyrrolidin-3-ylsulfanylpropan-1-ol.
What is the SMILES notation for 3-pyrrolidin-3-ylsulfanylpropan-1-ol?
The canonical SMILES for 3-pyrrolidin-3-ylsulfanylpropan-1-ol is OCCCSC1CCNC1.
What is the InChIKey of 3-pyrrolidin-3-ylsulfanylpropan-1-ol?
The InChIKey is UPKIZERBQDMGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c9-4-1-5-10-7-2-3-8-6-7/h7-9H,1-6H2.
What are the key properties of 3-pyrrolidin-3-ylsulfanylpropan-1-ol?
3-pyrrolidin-3-ylsulfanylpropan-1-ol has a molecular weight of 161.27 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-3-ylsulfanylpropan-1-ol is sourced from PubChem (CID 66127251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).