1-[3-(aminomethyl)phenyl]-N-(1-pyrazol-1-ylpropan-2-yl)methanesulfonamide

C14H20N4O2S — CID 61462630

IUPAC1-[3-(aminomethyl)phenyl]-N-(1-pyrazol-1-ylpropan-2-yl)methanesulfonamide
SMILESCC(Cn1cccn1)NS(=O)(=O)Cc1cccc(CN)c1
InChIInChI=1S/C14H20N4O2S/c1-12(10-18-7-3-6-16-18)17-21(19,20)11-14-5-2-4-13(8-14)9-15/h2-8,12,17H,9-11,15H2,1H3
InChIKeyLFNCUSIFLGHSDF-UHFFFAOYSA-N
MW308.41 g/mol
LogP0.85
Rot. Bonds7

About 1-[3-(aminomethyl)phenyl]-N-(1-pyrazol-1-ylpropan-2-yl)methanesulfonamide

1-[3-(aminomethyl)phenyl]-N-(1-pyrazol-1-ylpropan-2-yl)methanesulfonamide (PubChem CID 61462630) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-N-(1-pyrazol-1-ylpropan-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-N-(1-pyrazol-1-ylpropan-2-yl)methanesulfonamide
PubChem CID61462630
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name1-[3-(aminomethyl)phenyl]-N-(1-pyrazol-1-ylpropan-2-yl)methanesulfonamide
SMILESCC(Cn1cccn1)NS(=O)(=O)Cc1cccc(CN)c1
InChIInChI=1S/C14H20N4O2S/c1-12(10-18-7-3-6-16-18)17-21(19,20)11-14-5-2-4-13(8-14)9-15/h2-8,12,17H,9-11,15H2,1H3
InChIKeyLFNCUSIFLGHSDF-UHFFFAOYSA-N
XLogP0.85
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(aminomethyl)phenyl]-N-(1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide
CID 61473582
4-(aminomethyl)-2-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 106996794
4-(aminomethyl)-2-bromo-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 106009441
4-amino-2,6-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 79569041
4-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 43695373
5-(aminomethyl)-1-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide
CID 106009439
1-[3-(aminomethyl)phenyl]-N-methylmethanesulfonamide
CID 47002560
5-(aminomethyl)-1-ethyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide
CID 106009480
1-[3-(aminomethyl)phenyl]-N-(dicyclopropylmethyl)methanesulfonamide
CID 61482657
4-chloro-N-(1-pyrazol-1-ylpropan-2-yl)butane-1-sulfonamide
CID 116815471
3-amino-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61459524
3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61462673

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-N-(1-pyrazol-1-ylpropan-2-yl)methanesulfonamide?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-N-(1-pyrazol-1-ylpropan-2-yl)methanesulfonamide (CID 61462630) is 1-[3-(aminomethyl)phenyl]-N-(1-pyrazol-1-ylpropan-2-yl)methanesulfonamide.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-N-(1-pyrazol-1-ylpropan-2-yl)methanesulfonamide?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-N-(1-pyrazol-1-ylpropan-2-yl)methanesulfonamide is CC(Cn1cccn1)NS(=O)(=O)Cc1cccc(CN)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-N-(1-pyrazol-1-ylpropan-2-yl)methanesulfonamide?
The InChIKey is LFNCUSIFLGHSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-12(10-18-7-3-6-16-18)17-21(19,20)11-14-5-2-4-13(8-14)9-15/h2-8,12,17H,9-11,15H2,1H3.
What are the key properties of 1-[3-(aminomethyl)phenyl]-N-(1-pyrazol-1-ylpropan-2-yl)methanesulfonamide?
1-[3-(aminomethyl)phenyl]-N-(1-pyrazol-1-ylpropan-2-yl)methanesulfonamide has a molecular weight of 308.41 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-N-(1-pyrazol-1-ylpropan-2-yl)methanesulfonamide is sourced from PubChem (CID 61462630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).