N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-cyanophenyl)methanesulfonamide

C14H19N3O2S — CID 115307985

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-cyanophenyl)methanesulfonamide
SMILESCC(CN)(NS(=O)(=O)Cc1ccc(C#N)cc1)C1CC1
InChIInChI=1S/C14H19N3O2S/c1-14(10-16,13-6-7-13)17-20(18,19)9-12-4-2-11(8-15)3-5-12/h2-5,13,17H,6-7,9-10,16H2,1H3
InChIKeyDMRVGDRUEOZOLA-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.11
Rot. Bonds6

About N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-cyanophenyl)methanesulfonamide

N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-cyanophenyl)methanesulfonamide (PubChem CID 115307985) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-cyanophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-cyanophenyl)methanesulfonamide
PubChem CID115307985
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-cyanophenyl)methanesulfonamide
SMILESCC(CN)(NS(=O)(=O)Cc1ccc(C#N)cc1)C1CC1
InChIInChI=1S/C14H19N3O2S/c1-14(10-16,13-6-7-13)17-20(18,19)9-12-4-2-11(8-15)3-5-12/h2-5,13,17H,6-7,9-10,16H2,1H3
InChIKeyDMRVGDRUEOZOLA-UHFFFAOYSA-N
XLogP1.11
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyanophenyl)-N-(2,2-dimethylbutyl)methanesulfonamide
CID 103461770
1-(4-cyanophenyl)-N-[4-(methylamino)cyclohexyl]methanesulfonamide
CID 79117976
1-(4-cyanophenyl)-N-[2-(cyclopropylamino)ethyl]methanesulfonamide
CID 62664800
N-(1-amino-2-cyclopropylpropan-2-yl)-2-cyanopyridine-3-sulfonamide
CID 106598642
6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-3-carbonitrile
CID 115308086
N-(1-aminopropan-2-yl)-1-(4-cyanophenyl)methanesulfonamide
CID 63731343
4-[(2-amino-2-methylpropyl)sulfonylmethyl]benzonitrile
CID 81188216
N-(1-amino-2-methylpropan-2-yl)-4-cyanobenzenesulfonamide
CID 55161784
1-(4-cyanophenyl)-N-[(2-methylcyclopentyl)methyl]methanesulfonamide
CID 107418691
N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyanobenzamide
CID 113283477
1-(4-cyanophenyl)-N-(1,1-dioxothian-4-yl)methanesulfonamide
CID 43615313
N-(1-amino-2-cyclopropylpropan-2-yl)-1,1,1-trifluoromethanesulfonamide
CID 115308001

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-cyanophenyl)methanesulfonamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-cyanophenyl)methanesulfonamide (CID 115307985) is N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-cyanophenyl)methanesulfonamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-cyanophenyl)methanesulfonamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-cyanophenyl)methanesulfonamide is CC(CN)(NS(=O)(=O)Cc1ccc(C#N)cc1)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-cyanophenyl)methanesulfonamide?
The InChIKey is DMRVGDRUEOZOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-14(10-16,13-6-7-13)17-20(18,19)9-12-4-2-11(8-15)3-5-12/h2-5,13,17H,6-7,9-10,16H2,1H3.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-cyanophenyl)methanesulfonamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-cyanophenyl)methanesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-cyanophenyl)methanesulfonamide is sourced from PubChem (CID 115307985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).