2-amino-4-methylsulfonyl-N-(1-pyrazol-1-ylpropan-2-yl)butanamide

C11H20N4O3S — CID 43695389

IUPAC2-amino-4-methylsulfonyl-N-(1-pyrazol-1-ylpropan-2-yl)butanamide
SMILESCC(Cn1cccn1)NC(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C11H20N4O3S/c1-9(8-15-6-3-5-13-15)14-11(16)10(12)4-7-19(2,17)18/h3,5-6,9-10H,4,7-8,12H2,1-2H3,(H,14,16)
InChIKeySANBMIZQRNNAIA-UHFFFAOYSA-N
MW288.37 g/mol
LogP-0.85
Rot. Bonds7

About 2-amino-4-methylsulfonyl-N-(1-pyrazol-1-ylpropan-2-yl)butanamide

2-amino-4-methylsulfonyl-N-(1-pyrazol-1-ylpropan-2-yl)butanamide (PubChem CID 43695389) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-amino-4-methylsulfonyl-N-(1-pyrazol-1-ylpropan-2-yl)butanamide.

Molecular Properties

Compound Name2-amino-4-methylsulfonyl-N-(1-pyrazol-1-ylpropan-2-yl)butanamide
PubChem CID43695389
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name2-amino-4-methylsulfonyl-N-(1-pyrazol-1-ylpropan-2-yl)butanamide
SMILESCC(Cn1cccn1)NC(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C11H20N4O3S/c1-9(8-15-6-3-5-13-15)14-11(16)10(12)4-7-19(2,17)18/h3,5-6,9-10H,4,7-8,12H2,1-2H3,(H,14,16)
InChIKeySANBMIZQRNNAIA-UHFFFAOYSA-N
XLogP-0.85
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylsulfonyl-N-(1-pyrazol-1-ylpropan-2-yl)butanamide?
The IUPAC name of 2-amino-4-methylsulfonyl-N-(1-pyrazol-1-ylpropan-2-yl)butanamide (CID 43695389) is 2-amino-4-methylsulfonyl-N-(1-pyrazol-1-ylpropan-2-yl)butanamide.
What is the SMILES notation for 2-amino-4-methylsulfonyl-N-(1-pyrazol-1-ylpropan-2-yl)butanamide?
The canonical SMILES for 2-amino-4-methylsulfonyl-N-(1-pyrazol-1-ylpropan-2-yl)butanamide is CC(Cn1cccn1)NC(=O)C(N)CCS(C)(=O)=O.
What is the InChIKey of 2-amino-4-methylsulfonyl-N-(1-pyrazol-1-ylpropan-2-yl)butanamide?
The InChIKey is SANBMIZQRNNAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-9(8-15-6-3-5-13-15)14-11(16)10(12)4-7-19(2,17)18/h3,5-6,9-10H,4,7-8,12H2,1-2H3,(H,14,16).
What are the key properties of 2-amino-4-methylsulfonyl-N-(1-pyrazol-1-ylpropan-2-yl)butanamide?
2-amino-4-methylsulfonyl-N-(1-pyrazol-1-ylpropan-2-yl)butanamide has a molecular weight of 288.37 g/mol, XLogP of -0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylsulfonyl-N-(1-pyrazol-1-ylpropan-2-yl)butanamide is sourced from PubChem (CID 43695389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).