5-pyrrolidin-3-yl-1-(thiolan-3-yl)imidazole

C11H17N3S — CID 103065623

IUPAC5-pyrrolidin-3-yl-1-(thiolan-3-yl)imidazole
SMILESc1ncn(C2CCSC2)c1C1CCNC1
InChIInChI=1S/C11H17N3S/c1-3-12-5-9(1)11-6-13-8-14(11)10-2-4-15-7-10/h6,8-10,12H,1-5,7H2
InChIKeyDJQCSZMVCKYWTO-UHFFFAOYSA-N
MW223.34 g/mol
LogP1.64
Rot. Bonds2

About 5-pyrrolidin-3-yl-1-(thiolan-3-yl)imidazole

5-pyrrolidin-3-yl-1-(thiolan-3-yl)imidazole (PubChem CID 103065623) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 5-pyrrolidin-3-yl-1-(thiolan-3-yl)imidazole.

Molecular Properties

Compound Name5-pyrrolidin-3-yl-1-(thiolan-3-yl)imidazole
PubChem CID103065623
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name5-pyrrolidin-3-yl-1-(thiolan-3-yl)imidazole
SMILESc1ncn(C2CCSC2)c1C1CCNC1
InChIInChI=1S/C11H17N3S/c1-3-12-5-9(1)11-6-13-8-14(11)10-2-4-15-7-10/h6,8-10,12H,1-5,7H2
InChIKeyDJQCSZMVCKYWTO-UHFFFAOYSA-N
XLogP1.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-3-yl-1-(thiolan-3-yl)imidazole?
The IUPAC name of 5-pyrrolidin-3-yl-1-(thiolan-3-yl)imidazole (CID 103065623) is 5-pyrrolidin-3-yl-1-(thiolan-3-yl)imidazole.
What is the SMILES notation for 5-pyrrolidin-3-yl-1-(thiolan-3-yl)imidazole?
The canonical SMILES for 5-pyrrolidin-3-yl-1-(thiolan-3-yl)imidazole is c1ncn(C2CCSC2)c1C1CCNC1.
What is the InChIKey of 5-pyrrolidin-3-yl-1-(thiolan-3-yl)imidazole?
The InChIKey is DJQCSZMVCKYWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-3-12-5-9(1)11-6-13-8-14(11)10-2-4-15-7-10/h6,8-10,12H,1-5,7H2.
What are the key properties of 5-pyrrolidin-3-yl-1-(thiolan-3-yl)imidazole?
5-pyrrolidin-3-yl-1-(thiolan-3-yl)imidazole has a molecular weight of 223.34 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-3-yl-1-(thiolan-3-yl)imidazole is sourced from PubChem (CID 103065623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).