propan-2-yl N-[(5-amino-5-hydroxyiminopentyl)sulfamoyl]carbamate

C9H20N4O5S — CID 104929393

IUPACpropan-2-yl N-[(5-amino-5-hydroxyiminopentyl)sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NCCCCC(N)=NO
InChIInChI=1S/C9H20N4O5S/c1-7(2)18-9(14)13-19(16,17)11-6-4-3-5-8(10)12-15/h7,11,15H,3-6H2,1-2H3,(H2,10,12)(H,13,14)
InChIKeyUZPCGIHKJAYODD-UHFFFAOYSA-N
MW296.35 g/mol
LogP-0.13
Rot. Bonds8

About propan-2-yl N-[(5-amino-5-hydroxyiminopentyl)sulfamoyl]carbamate

propan-2-yl N-[(5-amino-5-hydroxyiminopentyl)sulfamoyl]carbamate (PubChem CID 104929393) has the molecular formula C9H20N4O5S and a molecular weight of 296.35 g/mol. Its IUPAC name is propan-2-yl N-[(5-amino-5-hydroxyiminopentyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(5-amino-5-hydroxyiminopentyl)sulfamoyl]carbamate
PubChem CID104929393
Molecular FormulaC9H20N4O5S
Molecular Weight296.35 g/mol
Exact Mass296.12
IUPAC Namepropan-2-yl N-[(5-amino-5-hydroxyiminopentyl)sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NCCCCC(N)=NO
InChIInChI=1S/C9H20N4O5S/c1-7(2)18-9(14)13-19(16,17)11-6-4-3-5-8(10)12-15/h7,11,15H,3-6H2,1-2H3,(H2,10,12)(H,13,14)
InChIKeyUZPCGIHKJAYODD-UHFFFAOYSA-N
XLogP-0.13
TPSA143.11 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

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CID 114467593
propan-2-yl N-(3-piperazin-1-ylpropylsulfamoyl)carbamate
CID 114461831
N-(5-amino-5-hydroxyiminopentyl)-2-methylsulfonylpropanamide
CID 104521813
N'-hydroxy-4-(2-propan-2-yloxyethylsulfonylamino)butanimidamide
CID 79593807
propan-2-yl N-[(2-chloro-3-methylbutyl)sulfamoyl]carbamate
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propan-2-yl N-[(3-amino-2-methylpropyl)sulfamoyl]carbamate
CID 114461386
N'-hydroxy-5-(3-methoxypropylsulfonylamino)pentanimidamide
CID 77036941
propan-2-yl N-[2-(methylamino)propylsulfamoyl]carbamate
CID 103512534
5-(butan-2-ylamino)-N'-hydroxypentanimidamide
CID 77026529
propan-2-yl N-[(2-amino-2-oxoethoxy)sulfamoyl]carbamate
CID 114463139
(2S)-2-hydroxy-3-(propan-2-yloxycarbonylsulfamoylamino)propanoic acid
CID 107835199
N-(5-amino-5-hydroxyiminopentyl)-4-methylpentanamide
CID 77036898

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(5-amino-5-hydroxyiminopentyl)sulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[(5-amino-5-hydroxyiminopentyl)sulfamoyl]carbamate (CID 104929393) is propan-2-yl N-[(5-amino-5-hydroxyiminopentyl)sulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(5-amino-5-hydroxyiminopentyl)sulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[(5-amino-5-hydroxyiminopentyl)sulfamoyl]carbamate is CC(C)OC(=O)NS(=O)(=O)NCCCCC(N)=NO.
What is the InChIKey of propan-2-yl N-[(5-amino-5-hydroxyiminopentyl)sulfamoyl]carbamate?
The InChIKey is UZPCGIHKJAYODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O5S/c1-7(2)18-9(14)13-19(16,17)11-6-4-3-5-8(10)12-15/h7,11,15H,3-6H2,1-2H3,(H2,10,12)(H,13,14).
What are the key properties of propan-2-yl N-[(5-amino-5-hydroxyiminopentyl)sulfamoyl]carbamate?
propan-2-yl N-[(5-amino-5-hydroxyiminopentyl)sulfamoyl]carbamate has a molecular weight of 296.35 g/mol, XLogP of -0.13, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(5-amino-5-hydroxyiminopentyl)sulfamoyl]carbamate is sourced from PubChem (CID 104929393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).