2-[tert-butylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide

C9H21N3O3S — CID 77044527

IUPAC2-[tert-butylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide
SMILESCC(C)N(CC(N)=NO)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C9H21N3O3S/c1-7(2)12(6-8(10)11-13)16(14,15)9(3,4)5/h7,13H,6H2,1-5H3,(H2,10,11)
InChIKeyBJDSTLATUTTXSU-UHFFFAOYSA-N
MW251.35 g/mol
LogP0.57
Rot. Bonds4

About 2-[tert-butylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide

2-[tert-butylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide (PubChem CID 77044527) has the molecular formula C9H21N3O3S and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-[tert-butylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[tert-butylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide
PubChem CID77044527
Molecular FormulaC9H21N3O3S
Molecular Weight251.35 g/mol
Exact Mass251.13
IUPAC Name2-[tert-butylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide
SMILESCC(C)N(CC(N)=NO)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C9H21N3O3S/c1-7(2)12(6-8(10)11-13)16(14,15)9(3,4)5/h7,13H,6H2,1-5H3,(H2,10,11)
InChIKeyBJDSTLATUTTXSU-UHFFFAOYSA-N
XLogP0.57
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[dimethylsulfamoyl(propan-2-yl)amino]-N'-hydroxyethanimidamide
CID 77044627
2-[di(propan-2-yl)amino]-N'-hydroxyethanimidamide
CID 77044960
N'-hydroxy-2-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide
CID 104978543
ethyl 2-[tert-butylsulfonyl(propan-2-yl)amino]acetate
CID 62490262
2-[cyclohexylmethylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide
CID 77037895
N'-hydroxy-2-[(4-methoxyphenyl)sulfonyl-propan-2-ylamino]ethanimidamide
CID 77044628
2-[2,2-dimethylpropylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 77045063
2-[(5-fluoro-3-pyridinyl)sulfonyl-propan-2-ylamino]-N'-hydroxyethanimidamide
CID 77038138
N-(2-amino-2-hydroxyiminoethyl)-N,2,2-trimethylpropanamide
CID 76928995
2-[diethylsulfamoyl(ethyl)amino]-N'-hydroxyethanimidamide
CID 76928839
2-[ethyl(methylsulfonyl)amino]-N'-hydroxyethanimidamide
CID 76929222
2-[propan-2-yl(sulfamoyl)amino]acetamide
CID 112684098

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[tert-butylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide (CID 77044527) is 2-[tert-butylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[tert-butylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[tert-butylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide is CC(C)N(CC(N)=NO)S(=O)(=O)C(C)(C)C.
What is the InChIKey of 2-[tert-butylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide?
The InChIKey is BJDSTLATUTTXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O3S/c1-7(2)12(6-8(10)11-13)16(14,15)9(3,4)5/h7,13H,6H2,1-5H3,(H2,10,11).
What are the key properties of 2-[tert-butylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide?
2-[tert-butylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide has a molecular weight of 251.35 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77044527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).