N-[1-(4-tert-butylphenyl)cyclopropyl]-1-cyanomethanesulfonamide

C15H20N2O2S — CID 84590971

IUPACN-[1-(4-tert-butylphenyl)cyclopropyl]-1-cyanomethanesulfonamide
SMILESCC(C)(C)c1ccc(C2(NS(=O)(=O)CC#N)CC2)cc1
InChIInChI=1S/C15H20N2O2S/c1-14(2,3)12-4-6-13(7-5-12)15(8-9-15)17-20(18,19)11-10-16/h4-7,17H,8-9,11H2,1-3H3
InChIKeyDYNNEOZFBWFQIM-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.42
Rot. Bonds4

About N-[1-(4-tert-butylphenyl)cyclopropyl]-1-cyanomethanesulfonamide

N-[1-(4-tert-butylphenyl)cyclopropyl]-1-cyanomethanesulfonamide (PubChem CID 84590971) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)cyclopropyl]-1-cyanomethanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)cyclopropyl]-1-cyanomethanesulfonamide
PubChem CID84590971
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-[1-(4-tert-butylphenyl)cyclopropyl]-1-cyanomethanesulfonamide
SMILESCC(C)(C)c1ccc(C2(NS(=O)(=O)CC#N)CC2)cc1
InChIInChI=1S/C15H20N2O2S/c1-14(2,3)12-4-6-13(7-5-12)15(8-9-15)17-20(18,19)11-10-16/h4-7,17H,8-9,11H2,1-3H3
InChIKeyDYNNEOZFBWFQIM-UHFFFAOYSA-N
XLogP2.42
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)cyclopropyl]-1-cyanomethanesulfonamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)cyclopropyl]-1-cyanomethanesulfonamide (CID 84590971) is N-[1-(4-tert-butylphenyl)cyclopropyl]-1-cyanomethanesulfonamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)cyclopropyl]-1-cyanomethanesulfonamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)cyclopropyl]-1-cyanomethanesulfonamide is CC(C)(C)c1ccc(C2(NS(=O)(=O)CC#N)CC2)cc1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)cyclopropyl]-1-cyanomethanesulfonamide?
The InChIKey is DYNNEOZFBWFQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-14(2,3)12-4-6-13(7-5-12)15(8-9-15)17-20(18,19)11-10-16/h4-7,17H,8-9,11H2,1-3H3.
What are the key properties of N-[1-(4-tert-butylphenyl)cyclopropyl]-1-cyanomethanesulfonamide?
N-[1-(4-tert-butylphenyl)cyclopropyl]-1-cyanomethanesulfonamide has a molecular weight of 292.40 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)cyclopropyl]-1-cyanomethanesulfonamide is sourced from PubChem (CID 84590971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).