cis-(1R,2S)-1-N,1-N-dimethyl-2-N-(2,3,5,6-tetramethylphenyl)sulfonylcyclopropane-1,2-dicarboxamide

C17H24N2O4S — CID 136583192

IUPACcis-(1R,2S)-1-N,1-N-dimethyl-2-N-(2,3,5,6-tetramethylphenyl)sulfonylcyclopropane-1,2-dicarboxamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)c1C
InChIInChI=1S/C17H24N2O4S/c1-9-7-10(2)12(4)15(11(9)3)24(22,23)18-16(20)13-8-14(13)17(21)19(5)6/h7,13-14H,8H2,1-6H3,(H,18,20)/t13-,14+/m0/s1
InChIKeyPDAQMNJJNGZUID-UONOGXRCSA-N
MW352.46 g/mol
LogP1.45
Rot. Bonds4

About cis-(1R,2S)-1-N,1-N-dimethyl-2-N-(2,3,5,6-tetramethylphenyl)sulfonylcyclopropane-1,2-dicarboxamide

cis-(1R,2S)-1-N,1-N-dimethyl-2-N-(2,3,5,6-tetramethylphenyl)sulfonylcyclopropane-1,2-dicarboxamide (PubChem CID 136583192) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is cis-(1R,2S)-1-N,1-N-dimethyl-2-N-(2,3,5,6-tetramethylphenyl)sulfonylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-1-N,1-N-dimethyl-2-N-(2,3,5,6-tetramethylphenyl)sulfonylcyclopropane-1,2-dicarboxamide
PubChem CID136583192
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Namecis-(1R,2S)-1-N,1-N-dimethyl-2-N-(2,3,5,6-tetramethylphenyl)sulfonylcyclopropane-1,2-dicarboxamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)c1C
InChIInChI=1S/C17H24N2O4S/c1-9-7-10(2)12(4)15(11(9)3)24(22,23)18-16(20)13-8-14(13)17(21)19(5)6/h7,13-14H,8H2,1-6H3,(H,18,20)/t13-,14+/m0/s1
InChIKeyPDAQMNJJNGZUID-UONOGXRCSA-N
XLogP1.45
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-1-N,1-N-dimethyl-2-N-(2,3,5,6-tetramethylphenyl)sulfonylcyclopropane-1,2-dicarboxamide?
The IUPAC name of cis-(1R,2S)-1-N,1-N-dimethyl-2-N-(2,3,5,6-tetramethylphenyl)sulfonylcyclopropane-1,2-dicarboxamide (CID 136583192) is cis-(1R,2S)-1-N,1-N-dimethyl-2-N-(2,3,5,6-tetramethylphenyl)sulfonylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for cis-(1R,2S)-1-N,1-N-dimethyl-2-N-(2,3,5,6-tetramethylphenyl)sulfonylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for cis-(1R,2S)-1-N,1-N-dimethyl-2-N-(2,3,5,6-tetramethylphenyl)sulfonylcyclopropane-1,2-dicarboxamide is Cc1cc(C)c(C)c(S(=O)(=O)NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)c1C.
What is the InChIKey of cis-(1R,2S)-1-N,1-N-dimethyl-2-N-(2,3,5,6-tetramethylphenyl)sulfonylcyclopropane-1,2-dicarboxamide?
The InChIKey is PDAQMNJJNGZUID-UONOGXRCSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-9-7-10(2)12(4)15(11(9)3)24(22,23)18-16(20)13-8-14(13)17(21)19(5)6/h7,13-14H,8H2,1-6H3,(H,18,20)/t13-,14+/m0/s1.
What are the key properties of cis-(1R,2S)-1-N,1-N-dimethyl-2-N-(2,3,5,6-tetramethylphenyl)sulfonylcyclopropane-1,2-dicarboxamide?
cis-(1R,2S)-1-N,1-N-dimethyl-2-N-(2,3,5,6-tetramethylphenyl)sulfonylcyclopropane-1,2-dicarboxamide has a molecular weight of 352.46 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-1-N,1-N-dimethyl-2-N-(2,3,5,6-tetramethylphenyl)sulfonylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 136583192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).