N-hydroxy-2-methyl-2-methylsulfonyl-N-(triazol-1-yl)butanamide

C8H14N4O4S — CID 88996028

IUPACN-hydroxy-2-methyl-2-methylsulfonyl-N-(triazol-1-yl)butanamide
SMILESCCC(C)(C(=O)N(O)n1ccnn1)S(C)(=O)=O
InChIInChI=1S/C8H14N4O4S/c1-4-8(2,17(3,15)16)7(13)12(14)11-6-5-9-10-11/h5-6,14H,4H2,1-3H3
InChIKeyHNCGSMSQJLJFEJ-UHFFFAOYSA-N
MW262.29 g/mol
LogP-0.65
Rot. Bonds4

About N-hydroxy-2-methyl-2-methylsulfonyl-N-(triazol-1-yl)butanamide

N-hydroxy-2-methyl-2-methylsulfonyl-N-(triazol-1-yl)butanamide (PubChem CID 88996028) has the molecular formula C8H14N4O4S and a molecular weight of 262.29 g/mol. Its IUPAC name is N-hydroxy-2-methyl-2-methylsulfonyl-N-(triazol-1-yl)butanamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-2-methylsulfonyl-N-(triazol-1-yl)butanamide
PubChem CID88996028
Molecular FormulaC8H14N4O4S
Molecular Weight262.29 g/mol
Exact Mass262.07
IUPAC NameN-hydroxy-2-methyl-2-methylsulfonyl-N-(triazol-1-yl)butanamide
SMILESCCC(C)(C(=O)N(O)n1ccnn1)S(C)(=O)=O
InChIInChI=1S/C8H14N4O4S/c1-4-8(2,17(3,15)16)7(13)12(14)11-6-5-9-10-11/h5-6,14H,4H2,1-3H3
InChIKeyHNCGSMSQJLJFEJ-UHFFFAOYSA-N
XLogP-0.65
TPSA105.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

carboxy(triazol-1-yl)carbamic acid
CID 67445650
N-(2-amino-2-ethylbutyl)-2-(triazol-1-yl)acetamide
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3,3-dimethyl-1-(triazol-1-yl)butan-2-one
CID 19813968
(2R)-2-amino-2-(triazol-1-yl)propanoic acid
CID 91491441
N-hydroxy-2-methyl-2-methylsulfonylpentanamide
CID 155407178
triazol-1-ylmethyl 2,2-dimethylpropanoate
CID 142289422
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(triazol-1-yl)propanamide
CID 79387824
1-[2-(2,2-dimethylpropylsulfonyl)ethyl]triazole
CID 167540335
2-[acetyl(triazol-1-yl)amino]pyridine-3-carboxamide
CID 91105345
[[2-methyl-2-(triazol-1-yl)butylidene]amino] N-methylcarbamate
CID 54217361
2-[tert-butyl-[2-(triazol-1-yl)acetyl]amino]acetic acid
CID 115348234
N-tert-butyl-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113056623

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-methyl-2-methylsulfonyl-N-(triazol-1-yl)butanamide?
The IUPAC name of N-hydroxy-2-methyl-2-methylsulfonyl-N-(triazol-1-yl)butanamide (CID 88996028) is N-hydroxy-2-methyl-2-methylsulfonyl-N-(triazol-1-yl)butanamide.
What is the SMILES notation for N-hydroxy-2-methyl-2-methylsulfonyl-N-(triazol-1-yl)butanamide?
The canonical SMILES for N-hydroxy-2-methyl-2-methylsulfonyl-N-(triazol-1-yl)butanamide is CCC(C)(C(=O)N(O)n1ccnn1)S(C)(=O)=O.
What is the InChIKey of N-hydroxy-2-methyl-2-methylsulfonyl-N-(triazol-1-yl)butanamide?
The InChIKey is HNCGSMSQJLJFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O4S/c1-4-8(2,17(3,15)16)7(13)12(14)11-6-5-9-10-11/h5-6,14H,4H2,1-3H3.
What are the key properties of N-hydroxy-2-methyl-2-methylsulfonyl-N-(triazol-1-yl)butanamide?
N-hydroxy-2-methyl-2-methylsulfonyl-N-(triazol-1-yl)butanamide has a molecular weight of 262.29 g/mol, XLogP of -0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methyl-2-methylsulfonyl-N-(triazol-1-yl)butanamide is sourced from PubChem (CID 88996028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).