2-[propan-2-yl(1H-pyrazol-5-ylsulfonyl)amino]acetamide

C8H14N4O3S — CID 102691712

IUPAC2-[propan-2-yl(1H-pyrazol-5-ylsulfonyl)amino]acetamide
SMILESCC(C)N(CC(N)=O)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C8H14N4O3S/c1-6(2)12(5-7(9)13)16(14,15)8-3-4-10-11-8/h3-4,6H,5H2,1-2H3,(H2,9,13)(H,10,11)
InChIKeyKIWZXTORZIDDJU-UHFFFAOYSA-N
MW246.29 g/mol
LogP-0.71
Rot. Bonds5

About 2-[propan-2-yl(1H-pyrazol-5-ylsulfonyl)amino]acetamide

2-[propan-2-yl(1H-pyrazol-5-ylsulfonyl)amino]acetamide (PubChem CID 102691712) has the molecular formula C8H14N4O3S and a molecular weight of 246.29 g/mol. Its IUPAC name is 2-[propan-2-yl(1H-pyrazol-5-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound Name2-[propan-2-yl(1H-pyrazol-5-ylsulfonyl)amino]acetamide
PubChem CID102691712
Molecular FormulaC8H14N4O3S
Molecular Weight246.29 g/mol
Exact Mass246.08
IUPAC Name2-[propan-2-yl(1H-pyrazol-5-ylsulfonyl)amino]acetamide
SMILESCC(C)N(CC(N)=O)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C8H14N4O3S/c1-6(2)12(5-7(9)13)16(14,15)8-3-4-10-11-8/h3-4,6H,5H2,1-2H3,(H2,9,13)(H,10,11)
InChIKeyKIWZXTORZIDDJU-UHFFFAOYSA-N
XLogP-0.71
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloroethyl)-N-propan-2-yl-1H-pyrazole-5-sulfonamide
CID 102693924
N-(cyanomethyl)-N-propan-2-yl-1H-pyrazole-5-sulfonamide
CID 102691142
2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetamide
CID 60911348
3-[2-methylpropyl(1H-pyrazol-5-ylsulfonyl)amino]propanethioamide
CID 102691182
N-(1-aminopropan-2-yl)-N-methyl-1H-pyrazole-5-sulfonamide
CID 102690466
N-(2-aminoethyl)-N-pentan-3-yl-1H-pyrazole-5-sulfonamide
CID 102694110
N'-hydroxy-3-[methyl(1H-pyrazol-5-ylsulfonyl)amino]butanimidamide
CID 102693863
3-(1H-pyrazol-5-ylsulfonylamino)butanamide
CID 102693407
ethyl 2-[ethyl(1H-pyrazol-5-ylsulfonyl)amino]acetate
CID 102692863
2-[[4-(aminomethyl)phenyl]sulfonyl-propan-2-ylamino]acetamide
CID 43578991
N-(2-chloroethyl)-N-pentan-3-yl-1H-pyrazole-5-sulfonamide
CID 102693931
2-[naphthalen-1-ylsulfonyl(propan-2-yl)amino]acetamide
CID 115684041

Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl(1H-pyrazol-5-ylsulfonyl)amino]acetamide?
The IUPAC name of 2-[propan-2-yl(1H-pyrazol-5-ylsulfonyl)amino]acetamide (CID 102691712) is 2-[propan-2-yl(1H-pyrazol-5-ylsulfonyl)amino]acetamide.
What is the SMILES notation for 2-[propan-2-yl(1H-pyrazol-5-ylsulfonyl)amino]acetamide?
The canonical SMILES for 2-[propan-2-yl(1H-pyrazol-5-ylsulfonyl)amino]acetamide is CC(C)N(CC(N)=O)S(=O)(=O)c1ccn[nH]1.
What is the InChIKey of 2-[propan-2-yl(1H-pyrazol-5-ylsulfonyl)amino]acetamide?
The InChIKey is KIWZXTORZIDDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3S/c1-6(2)12(5-7(9)13)16(14,15)8-3-4-10-11-8/h3-4,6H,5H2,1-2H3,(H2,9,13)(H,10,11).
What are the key properties of 2-[propan-2-yl(1H-pyrazol-5-ylsulfonyl)amino]acetamide?
2-[propan-2-yl(1H-pyrazol-5-ylsulfonyl)amino]acetamide has a molecular weight of 246.29 g/mol, XLogP of -0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl(1H-pyrazol-5-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 102691712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).