3-pyrrolidin-3-ylsulfanylaniline

C10H14N2S — CID 79134207

IUPAC3-pyrrolidin-3-ylsulfanylaniline
SMILESNc1cccc(SC2CCNC2)c1
InChIInChI=1S/C10H14N2S/c11-8-2-1-3-9(6-8)13-10-4-5-12-7-10/h1-3,6,10,12H,4-5,7,11H2
InChIKeyUOQLSZCSGWLFBQ-UHFFFAOYSA-N
MW194.30 g/mol
LogP1.72
Rot. Bonds2

About 3-pyrrolidin-3-ylsulfanylaniline

3-pyrrolidin-3-ylsulfanylaniline (PubChem CID 79134207) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 3-pyrrolidin-3-ylsulfanylaniline.

Molecular Properties

Compound Name3-pyrrolidin-3-ylsulfanylaniline
PubChem CID79134207
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name3-pyrrolidin-3-ylsulfanylaniline
SMILESNc1cccc(SC2CCNC2)c1
InChIInChI=1S/C10H14N2S/c11-8-2-1-3-9(6-8)13-10-4-5-12-7-10/h1-3,6,10,12H,4-5,7,11H2
InChIKeyUOQLSZCSGWLFBQ-UHFFFAOYSA-N
XLogP1.72
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-3-ylsulfanylaniline?
The IUPAC name of 3-pyrrolidin-3-ylsulfanylaniline (CID 79134207) is 3-pyrrolidin-3-ylsulfanylaniline.
What is the SMILES notation for 3-pyrrolidin-3-ylsulfanylaniline?
The canonical SMILES for 3-pyrrolidin-3-ylsulfanylaniline is Nc1cccc(SC2CCNC2)c1.
What is the InChIKey of 3-pyrrolidin-3-ylsulfanylaniline?
The InChIKey is UOQLSZCSGWLFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c11-8-2-1-3-9(6-8)13-10-4-5-12-7-10/h1-3,6,10,12H,4-5,7,11H2.
What are the key properties of 3-pyrrolidin-3-ylsulfanylaniline?
3-pyrrolidin-3-ylsulfanylaniline has a molecular weight of 194.30 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-3-ylsulfanylaniline is sourced from PubChem (CID 79134207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).