1-pyrrolidin-1-yl-2-pyrrolidin-3-ylsulfanylethanone

C10H18N2OS — CID 71777928

IUPAC1-pyrrolidin-1-yl-2-pyrrolidin-3-ylsulfanylethanone
SMILESO=C(CSC1CCNC1)N1CCCC1
InChIInChI=1S/C10H18N2OS/c13-10(12-5-1-2-6-12)8-14-9-3-4-11-7-9/h9,11H,1-8H2
InChIKeyYNCUSQWLTCVQIN-UHFFFAOYSA-N
MW214.33 g/mol
LogP0.70
Rot. Bonds3

About 1-pyrrolidin-1-yl-2-pyrrolidin-3-ylsulfanylethanone

1-pyrrolidin-1-yl-2-pyrrolidin-3-ylsulfanylethanone (PubChem CID 71777928) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-2-pyrrolidin-3-ylsulfanylethanone.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-2-pyrrolidin-3-ylsulfanylethanone
PubChem CID71777928
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name1-pyrrolidin-1-yl-2-pyrrolidin-3-ylsulfanylethanone
SMILESO=C(CSC1CCNC1)N1CCCC1
InChIInChI=1S/C10H18N2OS/c13-10(12-5-1-2-6-12)8-14-9-3-4-11-7-9/h9,11H,1-8H2
InChIKeyYNCUSQWLTCVQIN-UHFFFAOYSA-N
XLogP0.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-2-pyrrolidin-3-ylsulfanylethanone?
The IUPAC name of 1-pyrrolidin-1-yl-2-pyrrolidin-3-ylsulfanylethanone (CID 71777928) is 1-pyrrolidin-1-yl-2-pyrrolidin-3-ylsulfanylethanone.
What is the SMILES notation for 1-pyrrolidin-1-yl-2-pyrrolidin-3-ylsulfanylethanone?
The canonical SMILES for 1-pyrrolidin-1-yl-2-pyrrolidin-3-ylsulfanylethanone is O=C(CSC1CCNC1)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-2-pyrrolidin-3-ylsulfanylethanone?
The InChIKey is YNCUSQWLTCVQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c13-10(12-5-1-2-6-12)8-14-9-3-4-11-7-9/h9,11H,1-8H2.
What are the key properties of 1-pyrrolidin-1-yl-2-pyrrolidin-3-ylsulfanylethanone?
1-pyrrolidin-1-yl-2-pyrrolidin-3-ylsulfanylethanone has a molecular weight of 214.33 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-2-pyrrolidin-3-ylsulfanylethanone is sourced from PubChem (CID 71777928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).