N-tert-butyl-2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide

C10H18N4O3S — CID 47268093

IUPACN-tert-butyl-2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H18N4O3S/c1-10(2,3)13-9(15)7-14(4)18(16,17)8-5-11-12-6-8/h5-6H,7H2,1-4H3,(H,11,12)(H,13,15)
InChIKeyYWZCYQSQHYXLOF-UHFFFAOYSA-N
MW274.35 g/mol
LogP-0.06
Rot. Bonds4

About N-tert-butyl-2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide

N-tert-butyl-2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide (PubChem CID 47268093) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-tert-butyl-2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide
PubChem CID47268093
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC NameN-tert-butyl-2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H18N4O3S/c1-10(2,3)13-9(15)7-14(4)18(16,17)8-5-11-12-6-8/h5-6H,7H2,1-4H3,(H,11,12)(H,13,15)
InChIKeyYWZCYQSQHYXLOF-UHFFFAOYSA-N
XLogP-0.06
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 47268119
N,N-dimethyl-2-[1H-pyrazol-4-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetamide
CID 60958755
4-(1H-pyrazol-4-ylsulfonyl)piperazin-2-one
CID 47265881
N-propyl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide
CID 47267297
N-methyl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide
CID 47267378
N-propan-2-yl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide
CID 47267387
N-cyclopropyl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide
CID 47267388
N-cyclopropyl-2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide
CID 47267399
2-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]-N,N-dimethylacetamide
CID 47267411
2-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]-N-methylacetamide
CID 47267534
N-ethyl-2-(1H-pyrazol-4-ylsulfonylamino)propanamide
CID 47267535
N,N-dimethyl-2-(1H-pyrazol-4-ylsulfonylamino)propanamide
CID 47267537

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide (CID 47268093) is N-tert-butyl-2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide is CN(CC(=O)NC(C)(C)C)S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-tert-butyl-2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide?
The InChIKey is YWZCYQSQHYXLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S/c1-10(2,3)13-9(15)7-14(4)18(16,17)8-5-11-12-6-8/h5-6H,7H2,1-4H3,(H,11,12)(H,13,15).
What are the key properties of N-tert-butyl-2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide?
N-tert-butyl-2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide has a molecular weight of 274.35 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 47268093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).