cis-(1S,2R)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide

C14H20N2O3S — CID 26247678

IUPACcis-(1S,2R)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@@H]1C(=O)NCc1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C14H20N2O3S/c1-10-8-12(10)14(17)15-9-11-6-4-5-7-13(11)20(18,19)16(2)3/h4-7,10,12H,8-9H2,1-3H3,(H,15,17)/t10-,12+/m1/s1
InChIKeySCKGRBXOXQLZDT-PWSUYJOCSA-N
MW296.39 g/mol
LogP1.21
Rot. Bonds5

About cis-(1S,2R)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide

cis-(1S,2R)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 26247678) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is cis-(1S,2R)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
PubChem CID26247678
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Namecis-(1S,2R)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@@H]1C(=O)NCc1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C14H20N2O3S/c1-10-8-12(10)14(17)15-9-11-6-4-5-7-13(11)20(18,19)16(2)3/h4-7,10,12H,8-9H2,1-3H3,(H,15,17)/t10-,12+/m1/s1
InChIKeySCKGRBXOXQLZDT-PWSUYJOCSA-N
XLogP1.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2S,4S)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98681836
(1R,2S,4R)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98341757
N-[[2-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119276890
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(1R,2R)-2-methylcyclohexyl]urea
CID 41468178
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 18140584
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119276884
1-benzyl-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea
CID 24664693
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylbut-2-enamide
CID 47143995
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-prop-2-ynylurea
CID 17459150
(E)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-phenylprop-2-enamide
CID 41266696
2-(2,6-dimethylmorpholin-4-yl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 47020357
2-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide
CID 41266673

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide (CID 26247678) is cis-(1S,2R)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide is C[C@@H]1C[C@@H]1C(=O)NCc1ccccc1S(=O)(=O)N(C)C.
What is the InChIKey of cis-(1S,2R)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is SCKGRBXOXQLZDT-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10-8-12(10)14(17)15-9-11-6-4-5-7-13(11)20(18,19)16(2)3/h4-7,10,12H,8-9H2,1-3H3,(H,15,17)/t10-,12+/m1/s1.
What are the key properties of cis-(1S,2R)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide?
cis-(1S,2R)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 26247678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).