N-(1-aminopropan-2-yl)-1-(4-cyanophenyl)methanesulfonamide

C11H15N3O2S — CID 63731343

IUPACN-(1-aminopropan-2-yl)-1-(4-cyanophenyl)methanesulfonamide
SMILESCC(CN)NS(=O)(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C11H15N3O2S/c1-9(6-12)14-17(15,16)8-11-4-2-10(7-13)3-5-11/h2-5,9,14H,6,8,12H2,1H3
InChIKeyJQOYRRVRJPNFFJ-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.32
Rot. Bonds5

About N-(1-aminopropan-2-yl)-1-(4-cyanophenyl)methanesulfonamide

N-(1-aminopropan-2-yl)-1-(4-cyanophenyl)methanesulfonamide (PubChem CID 63731343) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-1-(4-cyanophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-1-(4-cyanophenyl)methanesulfonamide
PubChem CID63731343
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC NameN-(1-aminopropan-2-yl)-1-(4-cyanophenyl)methanesulfonamide
SMILESCC(CN)NS(=O)(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C11H15N3O2S/c1-9(6-12)14-17(15,16)8-11-4-2-10(7-13)3-5-11/h2-5,9,14H,6,8,12H2,1H3
InChIKeyJQOYRRVRJPNFFJ-UHFFFAOYSA-N
XLogP0.32
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminohexan-2-yl)-1-(4-cyanophenyl)methanesulfonamide
CID 80697698
2-[(4-cyanophenyl)methylsulfonylamino]-3,3-dimethylbutanoic acid
CID 43468038
4-(1-sulfanylethylsulfonylmethyl)benzonitrile
CID 167244875
1-[4-(aminomethyl)phenyl]-N-(1-methylsulfanylpropan-2-yl)methanesulfonamide
CID 106079683
(2S)-2-[(4-cyanophenyl)methylsulfonylamino]-3-hydroxypropanoic acid
CID 29266416
N-[(2R)-1-aminopropan-2-yl]-1-cyanomethanesulfonamide
CID 104877235
4-[(2-amino-2-methylpropyl)sulfonylmethyl]benzonitrile
CID 81188216
2-[(4-cyanophenyl)methylsulfonylamino]-4-hydroxybutanoic acid
CID 61243869
1-(4-cyanophenyl)-N-(2-methoxyethoxy)methanesulfonamide
CID 82715836
1-(4-cyanophenyl)-N-[4-(methylamino)cyclohexyl]methanesulfonamide
CID 79117976
1-(4-aminophenyl)-N-pent-4-yn-2-ylmethanesulfonamide
CID 113476946
1-(4-cyanophenyl)-N-ethyl-N-propan-2-ylmethanesulfonamide
CID 43265953

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-1-(4-cyanophenyl)methanesulfonamide?
The IUPAC name of N-(1-aminopropan-2-yl)-1-(4-cyanophenyl)methanesulfonamide (CID 63731343) is N-(1-aminopropan-2-yl)-1-(4-cyanophenyl)methanesulfonamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-1-(4-cyanophenyl)methanesulfonamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-1-(4-cyanophenyl)methanesulfonamide is CC(CN)NS(=O)(=O)Cc1ccc(C#N)cc1.
What is the InChIKey of N-(1-aminopropan-2-yl)-1-(4-cyanophenyl)methanesulfonamide?
The InChIKey is JQOYRRVRJPNFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-9(6-12)14-17(15,16)8-11-4-2-10(7-13)3-5-11/h2-5,9,14H,6,8,12H2,1H3.
What are the key properties of N-(1-aminopropan-2-yl)-1-(4-cyanophenyl)methanesulfonamide?
N-(1-aminopropan-2-yl)-1-(4-cyanophenyl)methanesulfonamide has a molecular weight of 253.33 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-1-(4-cyanophenyl)methanesulfonamide is sourced from PubChem (CID 63731343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).