2-pyrrolidin-1-yl-2-sulfanylethanol

C6H13NOS — CID 143553486

IUPAC2-pyrrolidin-1-yl-2-sulfanylethanol
SMILESOCC(S)N1CCCC1
InChIInChI=1S/C6H13NOS/c8-5-6(9)7-3-1-2-4-7/h6,8-9H,1-5H2
InChIKeyMDHVXFKBMLVPDW-UHFFFAOYSA-N
MW147.24 g/mol
LogP0.33
Rot. Bonds2

About 2-pyrrolidin-1-yl-2-sulfanylethanol

2-pyrrolidin-1-yl-2-sulfanylethanol (PubChem CID 143553486) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-2-sulfanylethanol.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-2-sulfanylethanol
PubChem CID143553486
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name2-pyrrolidin-1-yl-2-sulfanylethanol
SMILESOCC(S)N1CCCC1
InChIInChI=1S/C6H13NOS/c8-5-6(9)7-3-1-2-4-7/h6,8-9H,1-5H2
InChIKeyMDHVXFKBMLVPDW-UHFFFAOYSA-N
XLogP0.33
TPSA23.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-2-sulfanylethanol?
The IUPAC name of 2-pyrrolidin-1-yl-2-sulfanylethanol (CID 143553486) is 2-pyrrolidin-1-yl-2-sulfanylethanol.
What is the SMILES notation for 2-pyrrolidin-1-yl-2-sulfanylethanol?
The canonical SMILES for 2-pyrrolidin-1-yl-2-sulfanylethanol is OCC(S)N1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-yl-2-sulfanylethanol?
The InChIKey is MDHVXFKBMLVPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c8-5-6(9)7-3-1-2-4-7/h6,8-9H,1-5H2.
What are the key properties of 2-pyrrolidin-1-yl-2-sulfanylethanol?
2-pyrrolidin-1-yl-2-sulfanylethanol has a molecular weight of 147.24 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-2-sulfanylethanol is sourced from PubChem (CID 143553486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).