but-2-ynyl(thiophen-2-yl)carbamic acid

C9H9NO2S — CID 154411507

IUPACbut-2-ynyl(thiophen-2-yl)carbamic acid
SMILESCC#CCN(C(=O)O)c1cccs1
InChIInChI=1S/C9H9NO2S/c1-2-3-6-10(9(11)12)8-5-4-7-13-8/h4-5,7H,6H2,1H3,(H,11,12)
InChIKeyJSZKKQNTINRBGE-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.26
Rot. Bonds2

About but-2-ynyl(thiophen-2-yl)carbamic acid

but-2-ynyl(thiophen-2-yl)carbamic acid (PubChem CID 154411507) has the molecular formula C9H9NO2S and a molecular weight of 195.24 g/mol. Its IUPAC name is but-2-ynyl(thiophen-2-yl)carbamic acid.

Molecular Properties

Compound Namebut-2-ynyl(thiophen-2-yl)carbamic acid
PubChem CID154411507
Molecular FormulaC9H9NO2S
Molecular Weight195.24 g/mol
Exact Mass195.04
IUPAC Namebut-2-ynyl(thiophen-2-yl)carbamic acid
SMILESCC#CCN(C(=O)O)c1cccs1
InChIInChI=1S/C9H9NO2S/c1-2-3-6-10(9(11)12)8-5-4-7-13-8/h4-5,7H,6H2,1H3,(H,11,12)
InChIKeyJSZKKQNTINRBGE-UHFFFAOYSA-N
XLogP2.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hexyl(thiophen-2-yl)carbamic acid
CID 174246843
[4-methyl-2-(2-methylpropyl)pentyl]-thiophen-2-ylcarbamic acid
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2-(4-methoxyphenyl)sulfonylethyl-thiophen-2-ylcarbamic acid
CID 57150865
1,1,3,3-tetrathiophen-2-ylurea
CID 19774771
N-[2-[benzyl(methyl)amino]propyl]-N-thiophen-2-ylpropanamide;hydrochloride
CID 24843722
6-[butanoyl(thiophen-2-yl)amino]hexanoic acid
CID 57198799
2-[methyl(thiophen-2-yl)carbamoyl]propanedioic acid
CID 175014913
[methyl(thiophen-2-yl)amino]methanethiol
CID 115227704
1-thiophen-2-ylpropan-1-one
CID 26179
N-(3-pyridin-4-ylsulfanylpropyl)-N-thiophen-2-ylacetamide
CID 67739783
2-methyl-4-[methyl(thiophen-2-yl)amino]-4-oxobutanoic acid
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N-methyl-4-oxo-N-thiophen-2-ylpentanamide
CID 115176753

Frequently Asked Questions

What is the IUPAC name of but-2-ynyl(thiophen-2-yl)carbamic acid?
The IUPAC name of but-2-ynyl(thiophen-2-yl)carbamic acid (CID 154411507) is but-2-ynyl(thiophen-2-yl)carbamic acid.
What is the SMILES notation for but-2-ynyl(thiophen-2-yl)carbamic acid?
The canonical SMILES for but-2-ynyl(thiophen-2-yl)carbamic acid is CC#CCN(C(=O)O)c1cccs1.
What is the InChIKey of but-2-ynyl(thiophen-2-yl)carbamic acid?
The InChIKey is JSZKKQNTINRBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S/c1-2-3-6-10(9(11)12)8-5-4-7-13-8/h4-5,7H,6H2,1H3,(H,11,12).
What are the key properties of but-2-ynyl(thiophen-2-yl)carbamic acid?
but-2-ynyl(thiophen-2-yl)carbamic acid has a molecular weight of 195.24 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-ynyl(thiophen-2-yl)carbamic acid is sourced from PubChem (CID 154411507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).