2-tert-butyl-3-(3,3-dimethylbutan-2-yl)-N-methylsulfonylcyclopropane-1-carboxamide

C15H29NO3S — CID 123273396

IUPAC2-tert-butyl-3-(3,3-dimethylbutan-2-yl)-N-methylsulfonylcyclopropane-1-carboxamide
SMILESCC(C1C(C(=O)NS(C)(=O)=O)C1C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H29NO3S/c1-9(14(2,3)4)10-11(12(10)15(5,6)7)13(17)16-20(8,18)19/h9-12H,1-8H3,(H,16,17)
InChIKeyUOIYHRFFZPLKDA-UHFFFAOYSA-N
MW303.47 g/mol
LogP2.65
Rot. Bonds3

About 2-tert-butyl-3-(3,3-dimethylbutan-2-yl)-N-methylsulfonylcyclopropane-1-carboxamide

2-tert-butyl-3-(3,3-dimethylbutan-2-yl)-N-methylsulfonylcyclopropane-1-carboxamide (PubChem CID 123273396) has the molecular formula C15H29NO3S and a molecular weight of 303.47 g/mol. Its IUPAC name is 2-tert-butyl-3-(3,3-dimethylbutan-2-yl)-N-methylsulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-3-(3,3-dimethylbutan-2-yl)-N-methylsulfonylcyclopropane-1-carboxamide
PubChem CID123273396
Molecular FormulaC15H29NO3S
Molecular Weight303.47 g/mol
Exact Mass303.19
IUPAC Name2-tert-butyl-3-(3,3-dimethylbutan-2-yl)-N-methylsulfonylcyclopropane-1-carboxamide
SMILESCC(C1C(C(=O)NS(C)(=O)=O)C1C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H29NO3S/c1-9(14(2,3)4)10-11(12(10)15(5,6)7)13(17)16-20(8,18)19/h9-12H,1-8H3,(H,16,17)
InChIKeyUOIYHRFFZPLKDA-UHFFFAOYSA-N
XLogP2.65
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-(3,3-dimethylbutan-2-yl)-N-methylsulfonylcyclopropane-1-carboxamide?
The IUPAC name of 2-tert-butyl-3-(3,3-dimethylbutan-2-yl)-N-methylsulfonylcyclopropane-1-carboxamide (CID 123273396) is 2-tert-butyl-3-(3,3-dimethylbutan-2-yl)-N-methylsulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-tert-butyl-3-(3,3-dimethylbutan-2-yl)-N-methylsulfonylcyclopropane-1-carboxamide?
The canonical SMILES for 2-tert-butyl-3-(3,3-dimethylbutan-2-yl)-N-methylsulfonylcyclopropane-1-carboxamide is CC(C1C(C(=O)NS(C)(=O)=O)C1C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-3-(3,3-dimethylbutan-2-yl)-N-methylsulfonylcyclopropane-1-carboxamide?
The InChIKey is UOIYHRFFZPLKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3S/c1-9(14(2,3)4)10-11(12(10)15(5,6)7)13(17)16-20(8,18)19/h9-12H,1-8H3,(H,16,17).
What are the key properties of 2-tert-butyl-3-(3,3-dimethylbutan-2-yl)-N-methylsulfonylcyclopropane-1-carboxamide?
2-tert-butyl-3-(3,3-dimethylbutan-2-yl)-N-methylsulfonylcyclopropane-1-carboxamide has a molecular weight of 303.47 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-(3,3-dimethylbutan-2-yl)-N-methylsulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 123273396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).