N-[(4-cyanophenyl)methyl]-1-methyl-N-propylcyclopropane-1-sulfonamide

C15H20N2O2S — CID 136546172

IUPACN-[(4-cyanophenyl)methyl]-1-methyl-N-propylcyclopropane-1-sulfonamide
SMILESCCCN(Cc1ccc(C#N)cc1)S(=O)(=O)C1(C)CC1
InChIInChI=1S/C15H20N2O2S/c1-3-10-17(20(18,19)15(2)8-9-15)12-14-6-4-13(11-16)5-7-14/h4-7H,3,8-10,12H2,1-2H3
InChIKeyHZJBEZWNFNGHHJ-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.65
Rot. Bonds6

About N-[(4-cyanophenyl)methyl]-1-methyl-N-propylcyclopropane-1-sulfonamide

N-[(4-cyanophenyl)methyl]-1-methyl-N-propylcyclopropane-1-sulfonamide (PubChem CID 136546172) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-1-methyl-N-propylcyclopropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-1-methyl-N-propylcyclopropane-1-sulfonamide
PubChem CID136546172
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-[(4-cyanophenyl)methyl]-1-methyl-N-propylcyclopropane-1-sulfonamide
SMILESCCCN(Cc1ccc(C#N)cc1)S(=O)(=O)C1(C)CC1
InChIInChI=1S/C15H20N2O2S/c1-3-10-17(20(18,19)15(2)8-9-15)12-14-6-4-13(11-16)5-7-14/h4-7H,3,8-10,12H2,1-2H3
InChIKeyHZJBEZWNFNGHHJ-UHFFFAOYSA-N
XLogP2.65
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-cyanophenyl)methyl]-N-propylpropane-1-sulfonamide
CID 64592151
1-bromo-N-[(4-cyanophenyl)methyl]-N-propylmethanesulfonamide
CID 83084263
1-chloro-N-[(4-cyanophenyl)methyl]-N-propylmethanesulfonamide
CID 63666805
N-benzyl-4-cyano-N-propylbenzenesulfonamide
CID 30328624
1-amino-N-[(4-cyanophenyl)methyl]-N-propylcyclopropane-1-carboxamide
CID 65466399
N-[(4-cyanophenyl)methyl]-3-methyl-N-propylpyrrolidine-3-carboxamide
CID 63143620
1-(4-cyanophenyl)-N-prop-2-enyl-N-propylmethanesulfonamide
CID 107857451
N-[(4-cyanophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-propylacetamide
CID 111446250
4-[[(5-nitro-2-pyridinyl)-propylamino]methyl]benzonitrile
CID 133384023
4-[[propyl(pyridin-4-ylmethyl)amino]methyl]benzonitrile
CID 56721825
1-amino-4-[[propyl(sulfamoyl)amino]methyl]benzene
CID 114958655
4-[[3-hydroxypropyl(propyl)amino]methyl]benzonitrile
CID 110898500

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-1-methyl-N-propylcyclopropane-1-sulfonamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-1-methyl-N-propylcyclopropane-1-sulfonamide (CID 136546172) is N-[(4-cyanophenyl)methyl]-1-methyl-N-propylcyclopropane-1-sulfonamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-1-methyl-N-propylcyclopropane-1-sulfonamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-1-methyl-N-propylcyclopropane-1-sulfonamide is CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)C1(C)CC1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-1-methyl-N-propylcyclopropane-1-sulfonamide?
The InChIKey is HZJBEZWNFNGHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-3-10-17(20(18,19)15(2)8-9-15)12-14-6-4-13(11-16)5-7-14/h4-7H,3,8-10,12H2,1-2H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-1-methyl-N-propylcyclopropane-1-sulfonamide?
N-[(4-cyanophenyl)methyl]-1-methyl-N-propylcyclopropane-1-sulfonamide has a molecular weight of 292.40 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-1-methyl-N-propylcyclopropane-1-sulfonamide is sourced from PubChem (CID 136546172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).