methyl N-(but-3-ynylsulfamoyl)carbamate

C6H10N2O4S — CID 114466093

IUPACmethyl N-(but-3-ynylsulfamoyl)carbamate
SMILESC#CCCNS(=O)(=O)NC(=O)OC
InChIInChI=1S/C6H10N2O4S/c1-3-4-5-7-13(10,11)8-6(9)12-2/h1,7H,4-5H2,2H3,(H,8,9)
InChIKeyBSTFMPLLNPKYPN-UHFFFAOYSA-N
MW206.22 g/mol
LogP-0.80
Rot. Bonds4

About methyl N-(but-3-ynylsulfamoyl)carbamate

methyl N-(but-3-ynylsulfamoyl)carbamate (PubChem CID 114466093) has the molecular formula C6H10N2O4S and a molecular weight of 206.22 g/mol. Its IUPAC name is methyl N-(but-3-ynylsulfamoyl)carbamate.

Molecular Properties

Compound Namemethyl N-(but-3-ynylsulfamoyl)carbamate
PubChem CID114466093
Molecular FormulaC6H10N2O4S
Molecular Weight206.22 g/mol
Exact Mass206.04
IUPAC Namemethyl N-(but-3-ynylsulfamoyl)carbamate
SMILESC#CCCNS(=O)(=O)NC(=O)OC
InChIInChI=1S/C6H10N2O4S/c1-3-4-5-7-13(10,11)8-6(9)12-2/h1,7H,4-5H2,2H3,(H,8,9)
InChIKeyBSTFMPLLNPKYPN-UHFFFAOYSA-N
XLogP-0.80
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(4-bromobutylsulfamoyl)carbamate
CID 106846716
methyl N-(5-chloropentylsulfamoyl)carbamate
CID 107322697
methyl N-(2-azidoethylsulfamoyl)carbamate
CID 114466121
methyl N-[2-(3-hydroxypropylsulfanyl)ethylsulfamoyl]carbamate
CID 106306653
methyl N-(hex-5-yn-3-ylsulfamoyl)carbamate
CID 114466108
5-(methoxycarbonylsulfamoylamino)-2-methylpentanoic acid
CID 114463049
methyl N-(2,2-dimethoxyethylsulfamoyl)carbamate
CID 114463719
tert-butyl N-(2-sulfanylethylsulfamoyl)carbamate
CID 134306753
methyl N-[2-(4-hydroxyphenyl)ethylsulfamoyl]carbamate
CID 114463964
methyl N-(2-aminopropylsulfamoyl)carbamate
CID 114464784
N-(2-methoxyethylsulfamoyl)pent-4-yn-1-amine
CID 106223265
methyl N-hex-5-ynylcarbamate
CID 103758218

Frequently Asked Questions

What is the IUPAC name of methyl N-(but-3-ynylsulfamoyl)carbamate?
The IUPAC name of methyl N-(but-3-ynylsulfamoyl)carbamate (CID 114466093) is methyl N-(but-3-ynylsulfamoyl)carbamate.
What is the SMILES notation for methyl N-(but-3-ynylsulfamoyl)carbamate?
The canonical SMILES for methyl N-(but-3-ynylsulfamoyl)carbamate is C#CCCNS(=O)(=O)NC(=O)OC.
What is the InChIKey of methyl N-(but-3-ynylsulfamoyl)carbamate?
The InChIKey is BSTFMPLLNPKYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O4S/c1-3-4-5-7-13(10,11)8-6(9)12-2/h1,7H,4-5H2,2H3,(H,8,9).
What are the key properties of methyl N-(but-3-ynylsulfamoyl)carbamate?
methyl N-(but-3-ynylsulfamoyl)carbamate has a molecular weight of 206.22 g/mol, XLogP of -0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(but-3-ynylsulfamoyl)carbamate is sourced from PubChem (CID 114466093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).