3-tert-butylsulfonyl-N,N-dimethylpyrrolidine-1-sulfonamide

C10H22N2O4S2 — CID 71805999

IUPAC3-tert-butylsulfonyl-N,N-dimethylpyrrolidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(S(=O)(=O)C(C)(C)C)C1
InChIInChI=1S/C10H22N2O4S2/c1-10(2,3)17(13,14)9-6-7-12(8-9)18(15,16)11(4)5/h9H,6-8H2,1-5H3
InChIKeyXTOZKFRBSRQEBJ-UHFFFAOYSA-N
MW298.43 g/mol
LogP0.08
Rot. Bonds3

About 3-tert-butylsulfonyl-N,N-dimethylpyrrolidine-1-sulfonamide

3-tert-butylsulfonyl-N,N-dimethylpyrrolidine-1-sulfonamide (PubChem CID 71805999) has the molecular formula C10H22N2O4S2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-tert-butylsulfonyl-N,N-dimethylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-tert-butylsulfonyl-N,N-dimethylpyrrolidine-1-sulfonamide
PubChem CID71805999
Molecular FormulaC10H22N2O4S2
Molecular Weight298.43 g/mol
Exact Mass298.10
IUPAC Name3-tert-butylsulfonyl-N,N-dimethylpyrrolidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(S(=O)(=O)C(C)(C)C)C1
InChIInChI=1S/C10H22N2O4S2/c1-10(2,3)17(13,14)9-6-7-12(8-9)18(15,16)11(4)5/h9H,6-8H2,1-5H3
InChIKeyXTOZKFRBSRQEBJ-UHFFFAOYSA-N
XLogP0.08
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butylsulfonyl-N,N-dimethylpyrrolidine-1-sulfonamide?
The IUPAC name of 3-tert-butylsulfonyl-N,N-dimethylpyrrolidine-1-sulfonamide (CID 71805999) is 3-tert-butylsulfonyl-N,N-dimethylpyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-tert-butylsulfonyl-N,N-dimethylpyrrolidine-1-sulfonamide?
The canonical SMILES for 3-tert-butylsulfonyl-N,N-dimethylpyrrolidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC(S(=O)(=O)C(C)(C)C)C1.
What is the InChIKey of 3-tert-butylsulfonyl-N,N-dimethylpyrrolidine-1-sulfonamide?
The InChIKey is XTOZKFRBSRQEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S2/c1-10(2,3)17(13,14)9-6-7-12(8-9)18(15,16)11(4)5/h9H,6-8H2,1-5H3.
What are the key properties of 3-tert-butylsulfonyl-N,N-dimethylpyrrolidine-1-sulfonamide?
3-tert-butylsulfonyl-N,N-dimethylpyrrolidine-1-sulfonamide has a molecular weight of 298.43 g/mol, XLogP of 0.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylsulfonyl-N,N-dimethylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 71805999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).