methyl N-(hex-5-yn-3-ylsulfamoyl)carbamate

C8H14N2O4S — CID 114466108

IUPACmethyl N-(hex-5-yn-3-ylsulfamoyl)carbamate
SMILESC#CCC(CC)NS(=O)(=O)NC(=O)OC
InChIInChI=1S/C8H14N2O4S/c1-4-6-7(5-2)9-15(12,13)10-8(11)14-3/h1,7,9H,5-6H2,2-3H3,(H,10,11)
InChIKeyPVWZROZDHCDADD-UHFFFAOYSA-N
MW234.28 g/mol
LogP-0.02
Rot. Bonds5

About methyl N-(hex-5-yn-3-ylsulfamoyl)carbamate

methyl N-(hex-5-yn-3-ylsulfamoyl)carbamate (PubChem CID 114466108) has the molecular formula C8H14N2O4S and a molecular weight of 234.28 g/mol. Its IUPAC name is methyl N-(hex-5-yn-3-ylsulfamoyl)carbamate.

Molecular Properties

Compound Namemethyl N-(hex-5-yn-3-ylsulfamoyl)carbamate
PubChem CID114466108
Molecular FormulaC8H14N2O4S
Molecular Weight234.28 g/mol
Exact Mass234.07
IUPAC Namemethyl N-(hex-5-yn-3-ylsulfamoyl)carbamate
SMILESC#CCC(CC)NS(=O)(=O)NC(=O)OC
InChIInChI=1S/C8H14N2O4S/c1-4-6-7(5-2)9-15(12,13)10-8(11)14-3/h1,7,9H,5-6H2,2-3H3,(H,10,11)
InChIKeyPVWZROZDHCDADD-UHFFFAOYSA-N
XLogP-0.02
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-hex-5-yn-3-yl-2-methylsulfonylethanesulfonamide
CID 115650472
methyl 3-[hex-5-yn-3-ylsulfamoyl(methyl)amino]propanoate
CID 113250617
methyl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate
CID 106185569
methyl N-(but-3-ynylsulfamoyl)carbamate
CID 114466093
N-hex-5-yn-3-ylcyclopropanesulfonamide
CID 115650578
propan-2-yl N-(1-chlorobutan-2-ylsulfamoyl)carbamate
CID 114466308
ethyl N-(1-aminopentan-3-ylsulfamoyl)carbamate
CID 114461389
4-acetyl-N-hex-5-yn-3-ylbenzenesulfonamide
CID 115650461
methyl N-(3-oxobutan-2-ylsulfamoyl)carbamate
CID 114463731
N-ethylhex-5-yn-3-amine
CID 62233887
methyl 4-fluoro-2-(hex-5-yn-3-ylsulfamoyl)benzoate
CID 103835888
1-(hex-5-yn-3-ylsulfamoyl)piperidine-4-carboxylic acid
CID 113477031

Frequently Asked Questions

What is the IUPAC name of methyl N-(hex-5-yn-3-ylsulfamoyl)carbamate?
The IUPAC name of methyl N-(hex-5-yn-3-ylsulfamoyl)carbamate (CID 114466108) is methyl N-(hex-5-yn-3-ylsulfamoyl)carbamate.
What is the SMILES notation for methyl N-(hex-5-yn-3-ylsulfamoyl)carbamate?
The canonical SMILES for methyl N-(hex-5-yn-3-ylsulfamoyl)carbamate is C#CCC(CC)NS(=O)(=O)NC(=O)OC.
What is the InChIKey of methyl N-(hex-5-yn-3-ylsulfamoyl)carbamate?
The InChIKey is PVWZROZDHCDADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4S/c1-4-6-7(5-2)9-15(12,13)10-8(11)14-3/h1,7,9H,5-6H2,2-3H3,(H,10,11).
What are the key properties of methyl N-(hex-5-yn-3-ylsulfamoyl)carbamate?
methyl N-(hex-5-yn-3-ylsulfamoyl)carbamate has a molecular weight of 234.28 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(hex-5-yn-3-ylsulfamoyl)carbamate is sourced from PubChem (CID 114466108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).