2-(1-tert-butylcyclopropyl)sulfonyl-N,2-dimethylpropanamide

C12H23NO3S — CID 162006432

IUPAC2-(1-tert-butylcyclopropyl)sulfonyl-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)(C)S(=O)(=O)C1(C(C)(C)C)CC1
InChIInChI=1S/C12H23NO3S/c1-10(2,3)12(7-8-12)17(15,16)11(4,5)9(14)13-6/h7-8H2,1-6H3,(H,13,14)
InChIKeyRULMVDQUBLGVLM-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.50
Rot. Bonds3

About 2-(1-tert-butylcyclopropyl)sulfonyl-N,2-dimethylpropanamide

2-(1-tert-butylcyclopropyl)sulfonyl-N,2-dimethylpropanamide (PubChem CID 162006432) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-(1-tert-butylcyclopropyl)sulfonyl-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-(1-tert-butylcyclopropyl)sulfonyl-N,2-dimethylpropanamide
PubChem CID162006432
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Name2-(1-tert-butylcyclopropyl)sulfonyl-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)(C)S(=O)(=O)C1(C(C)(C)C)CC1
InChIInChI=1S/C12H23NO3S/c1-10(2,3)12(7-8-12)17(15,16)11(4,5)9(14)13-6/h7-8H2,1-6H3,(H,13,14)
InChIKeyRULMVDQUBLGVLM-UHFFFAOYSA-N
XLogP1.50
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butylcyclopropyl)sulfonyl-N,2-dimethylpropanamide?
The IUPAC name of 2-(1-tert-butylcyclopropyl)sulfonyl-N,2-dimethylpropanamide (CID 162006432) is 2-(1-tert-butylcyclopropyl)sulfonyl-N,2-dimethylpropanamide.
What is the SMILES notation for 2-(1-tert-butylcyclopropyl)sulfonyl-N,2-dimethylpropanamide?
The canonical SMILES for 2-(1-tert-butylcyclopropyl)sulfonyl-N,2-dimethylpropanamide is CNC(=O)C(C)(C)S(=O)(=O)C1(C(C)(C)C)CC1.
What is the InChIKey of 2-(1-tert-butylcyclopropyl)sulfonyl-N,2-dimethylpropanamide?
The InChIKey is RULMVDQUBLGVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-10(2,3)12(7-8-12)17(15,16)11(4,5)9(14)13-6/h7-8H2,1-6H3,(H,13,14).
What are the key properties of 2-(1-tert-butylcyclopropyl)sulfonyl-N,2-dimethylpropanamide?
2-(1-tert-butylcyclopropyl)sulfonyl-N,2-dimethylpropanamide has a molecular weight of 261.39 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butylcyclopropyl)sulfonyl-N,2-dimethylpropanamide is sourced from PubChem (CID 162006432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).