2,2-dimethylpropyl pyrrolidine-1-carbodithioate

C10H19NS2 — CID 21060460

IUPAC2,2-dimethylpropyl pyrrolidine-1-carbodithioate
SMILESCC(C)(C)CSC(=S)N1CCCC1
InChIInChI=1S/C10H19NS2/c1-10(2,3)8-13-9(12)11-6-4-5-7-11/h4-8H2,1-3H3
InChIKeyAFBFKIFMKAUNEQ-UHFFFAOYSA-N
MW217.40 g/mol
LogP3.15
Rot. Bonds1

About 2,2-dimethylpropyl pyrrolidine-1-carbodithioate

2,2-dimethylpropyl pyrrolidine-1-carbodithioate (PubChem CID 21060460) has the molecular formula C10H19NS2 and a molecular weight of 217.40 g/mol. Its IUPAC name is 2,2-dimethylpropyl pyrrolidine-1-carbodithioate.

Molecular Properties

Compound Name2,2-dimethylpropyl pyrrolidine-1-carbodithioate
PubChem CID21060460
Molecular FormulaC10H19NS2
Molecular Weight217.40 g/mol
Exact Mass217.10
IUPAC Name2,2-dimethylpropyl pyrrolidine-1-carbodithioate
SMILESCC(C)(C)CSC(=S)N1CCCC1
InChIInChI=1S/C10H19NS2/c1-10(2,3)8-13-9(12)11-6-4-5-7-11/h4-8H2,1-3H3
InChIKeyAFBFKIFMKAUNEQ-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.40
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl pyrrolidine-1-carbodithioate?
The IUPAC name of 2,2-dimethylpropyl pyrrolidine-1-carbodithioate (CID 21060460) is 2,2-dimethylpropyl pyrrolidine-1-carbodithioate.
What is the SMILES notation for 2,2-dimethylpropyl pyrrolidine-1-carbodithioate?
The canonical SMILES for 2,2-dimethylpropyl pyrrolidine-1-carbodithioate is CC(C)(C)CSC(=S)N1CCCC1.
What is the InChIKey of 2,2-dimethylpropyl pyrrolidine-1-carbodithioate?
The InChIKey is AFBFKIFMKAUNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS2/c1-10(2,3)8-13-9(12)11-6-4-5-7-11/h4-8H2,1-3H3.
What are the key properties of 2,2-dimethylpropyl pyrrolidine-1-carbodithioate?
2,2-dimethylpropyl pyrrolidine-1-carbodithioate has a molecular weight of 217.40 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl pyrrolidine-1-carbodithioate is sourced from PubChem (CID 21060460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).