(2S)-1-[(2S)-1,3-thiazolidine-2-carbonyl]pyrrolidine-2-carbonitrile

C9H13N3OS — CID 18391447

IUPAC(2S)-1-[(2S)-1,3-thiazolidine-2-carbonyl]pyrrolidine-2-carbonitrile
SMILESN#C[C@@H]1CCCN1C(=O)[C@H]1NCCS1
InChIInChI=1S/C9H13N3OS/c10-6-7-2-1-4-12(7)9(13)8-11-3-5-14-8/h7-8,11H,1-5H2/t7-,8-/m0/s1
InChIKeyPYVQUPNGIQCJGK-YUMQZZPRSA-N
MW211.29 g/mol
LogP0.16
Rot. Bonds1

About (2S)-1-[(2S)-1,3-thiazolidine-2-carbonyl]pyrrolidine-2-carbonitrile

(2S)-1-[(2S)-1,3-thiazolidine-2-carbonyl]pyrrolidine-2-carbonitrile (PubChem CID 18391447) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is (2S)-1-[(2S)-1,3-thiazolidine-2-carbonyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2S)-1-[(2S)-1,3-thiazolidine-2-carbonyl]pyrrolidine-2-carbonitrile
PubChem CID18391447
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name(2S)-1-[(2S)-1,3-thiazolidine-2-carbonyl]pyrrolidine-2-carbonitrile
SMILESN#C[C@@H]1CCCN1C(=O)[C@H]1NCCS1
InChIInChI=1S/C9H13N3OS/c10-6-7-2-1-4-12(7)9(13)8-11-3-5-14-8/h7-8,11H,1-5H2/t7-,8-/m0/s1
InChIKeyPYVQUPNGIQCJGK-YUMQZZPRSA-N
XLogP0.16
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-1,3-thiazolidine-2-carbonyl]pyrrolidine-2-carbonitrile?
The IUPAC name of (2S)-1-[(2S)-1,3-thiazolidine-2-carbonyl]pyrrolidine-2-carbonitrile (CID 18391447) is (2S)-1-[(2S)-1,3-thiazolidine-2-carbonyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for (2S)-1-[(2S)-1,3-thiazolidine-2-carbonyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for (2S)-1-[(2S)-1,3-thiazolidine-2-carbonyl]pyrrolidine-2-carbonitrile is N#C[C@@H]1CCCN1C(=O)[C@H]1NCCS1.
What is the InChIKey of (2S)-1-[(2S)-1,3-thiazolidine-2-carbonyl]pyrrolidine-2-carbonitrile?
The InChIKey is PYVQUPNGIQCJGK-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H13N3OS/c10-6-7-2-1-4-12(7)9(13)8-11-3-5-14-8/h7-8,11H,1-5H2/t7-,8-/m0/s1.
What are the key properties of (2S)-1-[(2S)-1,3-thiazolidine-2-carbonyl]pyrrolidine-2-carbonitrile?
(2S)-1-[(2S)-1,3-thiazolidine-2-carbonyl]pyrrolidine-2-carbonitrile has a molecular weight of 211.29 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-1,3-thiazolidine-2-carbonyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 18391447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).