4-butan-2-ylsulfanylpyrrolidin-3-ol

C8H17NOS — CID 63703438

IUPAC4-butan-2-ylsulfanylpyrrolidin-3-ol
SMILESCCC(C)SC1CNCC1O
InChIInChI=1S/C8H17NOS/c1-3-6(2)11-8-5-9-4-7(8)10/h6-10H,3-5H2,1-2H3
InChIKeyZNAYJJFPZDCBSZ-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.85
Rot. Bonds3

About 4-butan-2-ylsulfanylpyrrolidin-3-ol

4-butan-2-ylsulfanylpyrrolidin-3-ol (PubChem CID 63703438) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 4-butan-2-ylsulfanylpyrrolidin-3-ol.

Molecular Properties

Compound Name4-butan-2-ylsulfanylpyrrolidin-3-ol
PubChem CID63703438
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name4-butan-2-ylsulfanylpyrrolidin-3-ol
SMILESCCC(C)SC1CNCC1O
InChIInChI=1S/C8H17NOS/c1-3-6(2)11-8-5-9-4-7(8)10/h6-10H,3-5H2,1-2H3
InChIKeyZNAYJJFPZDCBSZ-UHFFFAOYSA-N
XLogP0.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-ylsulfanylpyrrolidin-3-ol?
The IUPAC name of 4-butan-2-ylsulfanylpyrrolidin-3-ol (CID 63703438) is 4-butan-2-ylsulfanylpyrrolidin-3-ol.
What is the SMILES notation for 4-butan-2-ylsulfanylpyrrolidin-3-ol?
The canonical SMILES for 4-butan-2-ylsulfanylpyrrolidin-3-ol is CCC(C)SC1CNCC1O.
What is the InChIKey of 4-butan-2-ylsulfanylpyrrolidin-3-ol?
The InChIKey is ZNAYJJFPZDCBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-3-6(2)11-8-5-9-4-7(8)10/h6-10H,3-5H2,1-2H3.
What are the key properties of 4-butan-2-ylsulfanylpyrrolidin-3-ol?
4-butan-2-ylsulfanylpyrrolidin-3-ol has a molecular weight of 175.30 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-ylsulfanylpyrrolidin-3-ol is sourced from PubChem (CID 63703438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).