3-(1H-imidazol-5-ylsulfonylamino)-N,2,2-trimethylpropanamide

C9H16N4O3S — CID 103824162

IUPAC3-(1H-imidazol-5-ylsulfonylamino)-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C9H16N4O3S/c1-9(2,8(14)10-3)5-13-17(15,16)7-4-11-6-12-7/h4,6,13H,5H2,1-3H3,(H,10,14)(H,11,12)
InChIKeyQSQPSSRWHAQMJH-UHFFFAOYSA-N
MW260.32 g/mol
LogP-0.54
Rot. Bonds5

About 3-(1H-imidazol-5-ylsulfonylamino)-N,2,2-trimethylpropanamide

3-(1H-imidazol-5-ylsulfonylamino)-N,2,2-trimethylpropanamide (PubChem CID 103824162) has the molecular formula C9H16N4O3S and a molecular weight of 260.32 g/mol. Its IUPAC name is 3-(1H-imidazol-5-ylsulfonylamino)-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-(1H-imidazol-5-ylsulfonylamino)-N,2,2-trimethylpropanamide
PubChem CID103824162
Molecular FormulaC9H16N4O3S
Molecular Weight260.32 g/mol
Exact Mass260.09
IUPAC Name3-(1H-imidazol-5-ylsulfonylamino)-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C9H16N4O3S/c1-9(2,8(14)10-3)5-13-17(15,16)7-4-11-6-12-7/h4,6,13H,5H2,1-3H3,(H,10,14)(H,11,12)
InChIKeyQSQPSSRWHAQMJH-UHFFFAOYSA-N
XLogP-0.54
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-imidazole-5-sulfonamide
CID 103835702
3-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 106279668
N,2,2-trimethyl-3-(1H-pyrazol-4-ylsulfonylamino)propanamide
CID 103824132
N-[2-(aminomethyl)-2-ethylbutyl]-1H-imidazole-5-sulfonamide
CID 106251055
N-(1-methoxy-2-methylpropan-2-yl)-1H-imidazole-5-sulfonamide
CID 115640418
3-[(4-hydrazinyl-3-pyridinyl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 106278343
N-(2-amino-3-ethylpentyl)-1H-imidazole-5-sulfonamide
CID 114168541
2-hydroxy-3-(1H-imidazol-5-ylsulfonylamino)propanoic acid
CID 66167517
N-[3-(methanesulfonamido)propyl]-1H-imidazole-5-sulfonamide
CID 103680413
2-ethyl-2-(1H-imidazol-5-ylsulfonylamino)butanoic acid
CID 79806947
N-(5-methylhexyl)-1H-imidazole-5-sulfonamide
CID 79002686
3-[[4-(bromomethyl)phenyl]sulfonylamino]-N,2,2-trimethylpropanamide
CID 106279745

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-ylsulfonylamino)-N,2,2-trimethylpropanamide?
The IUPAC name of 3-(1H-imidazol-5-ylsulfonylamino)-N,2,2-trimethylpropanamide (CID 103824162) is 3-(1H-imidazol-5-ylsulfonylamino)-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-(1H-imidazol-5-ylsulfonylamino)-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-(1H-imidazol-5-ylsulfonylamino)-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNS(=O)(=O)c1cnc[nH]1.
What is the InChIKey of 3-(1H-imidazol-5-ylsulfonylamino)-N,2,2-trimethylpropanamide?
The InChIKey is QSQPSSRWHAQMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S/c1-9(2,8(14)10-3)5-13-17(15,16)7-4-11-6-12-7/h4,6,13H,5H2,1-3H3,(H,10,14)(H,11,12).
What are the key properties of 3-(1H-imidazol-5-ylsulfonylamino)-N,2,2-trimethylpropanamide?
3-(1H-imidazol-5-ylsulfonylamino)-N,2,2-trimethylpropanamide has a molecular weight of 260.32 g/mol, XLogP of -0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-ylsulfonylamino)-N,2,2-trimethylpropanamide is sourced from PubChem (CID 103824162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).