1-tert-butyl-3-(dimethylsulfamoylamino)pyrrolidine

C10H23N3O2S — CID 59788284

IUPAC1-tert-butyl-3-(dimethylsulfamoylamino)pyrrolidine
SMILESCN(C)S(=O)(=O)NC1CCN(C(C)(C)C)C1
InChIInChI=1S/C10H23N3O2S/c1-10(2,3)13-7-6-9(8-13)11-16(14,15)12(4)5/h9,11H,6-8H2,1-5H3
InChIKeyGCLIIRMETWKLHB-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.26
Rot. Bonds3

About 1-tert-butyl-3-(dimethylsulfamoylamino)pyrrolidine

1-tert-butyl-3-(dimethylsulfamoylamino)pyrrolidine (PubChem CID 59788284) has the molecular formula C10H23N3O2S and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-tert-butyl-3-(dimethylsulfamoylamino)pyrrolidine.

Molecular Properties

Compound Name1-tert-butyl-3-(dimethylsulfamoylamino)pyrrolidine
PubChem CID59788284
Molecular FormulaC10H23N3O2S
Molecular Weight249.38 g/mol
Exact Mass249.15
IUPAC Name1-tert-butyl-3-(dimethylsulfamoylamino)pyrrolidine
SMILESCN(C)S(=O)(=O)NC1CCN(C(C)(C)C)C1
InChIInChI=1S/C10H23N3O2S/c1-10(2,3)13-7-6-9(8-13)11-16(14,15)12(4)5/h9,11H,6-8H2,1-5H3
InChIKeyGCLIIRMETWKLHB-UHFFFAOYSA-N
XLogP0.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(dimethylsulfamoylamino)pyrrolidine?
The IUPAC name of 1-tert-butyl-3-(dimethylsulfamoylamino)pyrrolidine (CID 59788284) is 1-tert-butyl-3-(dimethylsulfamoylamino)pyrrolidine.
What is the SMILES notation for 1-tert-butyl-3-(dimethylsulfamoylamino)pyrrolidine?
The canonical SMILES for 1-tert-butyl-3-(dimethylsulfamoylamino)pyrrolidine is CN(C)S(=O)(=O)NC1CCN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-3-(dimethylsulfamoylamino)pyrrolidine?
The InChIKey is GCLIIRMETWKLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S/c1-10(2,3)13-7-6-9(8-13)11-16(14,15)12(4)5/h9,11H,6-8H2,1-5H3.
What are the key properties of 1-tert-butyl-3-(dimethylsulfamoylamino)pyrrolidine?
1-tert-butyl-3-(dimethylsulfamoylamino)pyrrolidine has a molecular weight of 249.38 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(dimethylsulfamoylamino)pyrrolidine is sourced from PubChem (CID 59788284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).