[3-(dimethylamino)-3-oxo-1-thiophen-2-ylpropyl]carbamic acid

C10H14N2O3S — CID 67423103

IUPAC[3-(dimethylamino)-3-oxo-1-thiophen-2-ylpropyl]carbamic acid
SMILESCN(C)C(=O)CC(NC(=O)O)c1cccs1
InChIInChI=1S/C10H14N2O3S/c1-12(2)9(13)6-7(11-10(14)15)8-4-3-5-16-8/h3-5,7,11H,6H2,1-2H3,(H,14,15)
InChIKeyABJKKUCAMRSQMW-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.54
Rot. Bonds4

About [3-(dimethylamino)-3-oxo-1-thiophen-2-ylpropyl]carbamic acid

[3-(dimethylamino)-3-oxo-1-thiophen-2-ylpropyl]carbamic acid (PubChem CID 67423103) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is [3-(dimethylamino)-3-oxo-1-thiophen-2-ylpropyl]carbamic acid.

Molecular Properties

Compound Name[3-(dimethylamino)-3-oxo-1-thiophen-2-ylpropyl]carbamic acid
PubChem CID67423103
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name[3-(dimethylamino)-3-oxo-1-thiophen-2-ylpropyl]carbamic acid
SMILESCN(C)C(=O)CC(NC(=O)O)c1cccs1
InChIInChI=1S/C10H14N2O3S/c1-12(2)9(13)6-7(11-10(14)15)8-4-3-5-16-8/h3-5,7,11H,6H2,1-2H3,(H,14,15)
InChIKeyABJKKUCAMRSQMW-UHFFFAOYSA-N
XLogP1.54
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-hydroxy-N,N-dimethyl-3-thiophen-2-ylpropanamide
CID 141411439
methyl 2-[(3-acetamido-3-thiophen-2-ylpropanoyl)-methylamino]acetate
CID 43409775
(3R)-3-acetamido-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-thiophen-2-ylpropanamide
CID 94017825
3-[(2-amino-2-methylpropanoyl)amino]-3-thiophen-2-ylpropanoic acid
CID 61266982
3-(2-chloropropanoylamino)-3-thiophen-2-ylpropanoic acid
CID 43700897
3-(butanoylamino)-3-thiophen-2-ylpropanoic acid
CID 60750131
3-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]butanoic acid
CID 43360839
N-[2-(tert-butylamino)-2-oxoethyl]-3-(carbamoylamino)-N-methyl-3-thiophen-2-ylpropanamide
CID 86915677
(3S)-3-acetamido-N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-thiophen-2-ylpropanamide
CID 29418275
3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide
CID 47137622
3-(3-methylbutan-2-ylamino)-3-thiophen-2-ylpropanoic acid
CID 43727724
3-[1-(5-methylthiophen-2-yl)ethylamino]-3-thiophen-2-ylpropanoic acid
CID 43727716

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-3-oxo-1-thiophen-2-ylpropyl]carbamic acid?
The IUPAC name of [3-(dimethylamino)-3-oxo-1-thiophen-2-ylpropyl]carbamic acid (CID 67423103) is [3-(dimethylamino)-3-oxo-1-thiophen-2-ylpropyl]carbamic acid.
What is the SMILES notation for [3-(dimethylamino)-3-oxo-1-thiophen-2-ylpropyl]carbamic acid?
The canonical SMILES for [3-(dimethylamino)-3-oxo-1-thiophen-2-ylpropyl]carbamic acid is CN(C)C(=O)CC(NC(=O)O)c1cccs1.
What is the InChIKey of [3-(dimethylamino)-3-oxo-1-thiophen-2-ylpropyl]carbamic acid?
The InChIKey is ABJKKUCAMRSQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-12(2)9(13)6-7(11-10(14)15)8-4-3-5-16-8/h3-5,7,11H,6H2,1-2H3,(H,14,15).
What are the key properties of [3-(dimethylamino)-3-oxo-1-thiophen-2-ylpropyl]carbamic acid?
[3-(dimethylamino)-3-oxo-1-thiophen-2-ylpropyl]carbamic acid has a molecular weight of 242.30 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-3-oxo-1-thiophen-2-ylpropyl]carbamic acid is sourced from PubChem (CID 67423103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).