1-(2-cyanophenyl)-N-[2-[cyclopropyl(methyl)amino]propyl]methanesulfonamide

C15H21N3O2S — CID 103830180

IUPAC1-(2-cyanophenyl)-N-[2-[cyclopropyl(methyl)amino]propyl]methanesulfonamide
SMILESCC(CNS(=O)(=O)Cc1ccccc1C#N)N(C)C1CC1
InChIInChI=1S/C15H21N3O2S/c1-12(18(2)15-7-8-15)10-17-21(19,20)11-14-6-4-3-5-13(14)9-16/h3-6,12,15,17H,7-8,10-11H2,1-2H3
InChIKeyHKADYSPRZYUGQI-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.46
Rot. Bonds7

About 1-(2-cyanophenyl)-N-[2-[cyclopropyl(methyl)amino]propyl]methanesulfonamide

1-(2-cyanophenyl)-N-[2-[cyclopropyl(methyl)amino]propyl]methanesulfonamide (PubChem CID 103830180) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-(2-cyanophenyl)-N-[2-[cyclopropyl(methyl)amino]propyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-cyanophenyl)-N-[2-[cyclopropyl(methyl)amino]propyl]methanesulfonamide
PubChem CID103830180
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name1-(2-cyanophenyl)-N-[2-[cyclopropyl(methyl)amino]propyl]methanesulfonamide
SMILESCC(CNS(=O)(=O)Cc1ccccc1C#N)N(C)C1CC1
InChIInChI=1S/C15H21N3O2S/c1-12(18(2)15-7-8-15)10-17-21(19,20)11-14-6-4-3-5-13(14)9-16/h3-6,12,15,17H,7-8,10-11H2,1-2H3
InChIKeyHKADYSPRZYUGQI-UHFFFAOYSA-N
XLogP1.46
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyanophenyl)-N-[(1-ethylcyclopentyl)methyl]methanesulfonamide
CID 103830233
1-(2-cyanophenyl)-N-(2-cyclopentylethyl)methanesulfonamide
CID 60733971
2-[[4-(dimethylamino)piperidin-1-yl]sulfonylmethyl]benzonitrile
CID 43586145
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2-cyanophenyl)methanesulfonamide
CID 63683358
2-[[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylmethyl]benzonitrile
CID 103834550
1-(2-cyanophenyl)-N-[1-(oxolan-3-yl)ethyl]methanesulfonamide
CID 115752971
1-(2-cyanophenyl)-N-[(2-hydroxycyclohexyl)methyl]methanesulfonamide
CID 64912022
2-(butan-2-ylsulfonylmethyl)benzonitrile
CID 64691415
3-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]propyl]-2-methylbenzenesulfonamide
CID 106094144
2-[(3-propan-2-ylpyrrolidin-1-yl)sulfonylmethyl]benzonitrile
CID 115752985
1-(2-cyanophenyl)-N-(3-ethoxycyclobutyl)methanesulfonamide
CID 102609515
1-(2-cyanophenyl)-N-(2,4-dimethylcyclohexyl)methanesulfonamide
CID 63997155

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)-N-[2-[cyclopropyl(methyl)amino]propyl]methanesulfonamide?
The IUPAC name of 1-(2-cyanophenyl)-N-[2-[cyclopropyl(methyl)amino]propyl]methanesulfonamide (CID 103830180) is 1-(2-cyanophenyl)-N-[2-[cyclopropyl(methyl)amino]propyl]methanesulfonamide.
What is the SMILES notation for 1-(2-cyanophenyl)-N-[2-[cyclopropyl(methyl)amino]propyl]methanesulfonamide?
The canonical SMILES for 1-(2-cyanophenyl)-N-[2-[cyclopropyl(methyl)amino]propyl]methanesulfonamide is CC(CNS(=O)(=O)Cc1ccccc1C#N)N(C)C1CC1.
What is the InChIKey of 1-(2-cyanophenyl)-N-[2-[cyclopropyl(methyl)amino]propyl]methanesulfonamide?
The InChIKey is HKADYSPRZYUGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-12(18(2)15-7-8-15)10-17-21(19,20)11-14-6-4-3-5-13(14)9-16/h3-6,12,15,17H,7-8,10-11H2,1-2H3.
What are the key properties of 1-(2-cyanophenyl)-N-[2-[cyclopropyl(methyl)amino]propyl]methanesulfonamide?
1-(2-cyanophenyl)-N-[2-[cyclopropyl(methyl)amino]propyl]methanesulfonamide has a molecular weight of 307.42 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)-N-[2-[cyclopropyl(methyl)amino]propyl]methanesulfonamide is sourced from PubChem (CID 103830180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).