N,3-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)imidazol-3-ium-1-carboxamide

C13H18N3OS+ — CID 79486718

IUPACN,3-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)imidazol-3-ium-1-carboxamide
SMILESCC(Cc1cccs1)N(C)C(=O)n1cc[n+](C)c1
InChIInChI=1S/C13H18N3OS/c1-11(9-12-5-4-8-18-12)15(3)13(17)16-7-6-14(2)10-16/h4-8,10-11H,9H2,1-3H3/q+1
InChIKeyHZOMSPIXYCCUHI-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.91
Rot. Bonds3

About N,3-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)imidazol-3-ium-1-carboxamide

N,3-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)imidazol-3-ium-1-carboxamide (PubChem CID 79486718) has the molecular formula C13H18N3OS+ and a molecular weight of 264.37 g/mol. Its IUPAC name is N,3-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)imidazol-3-ium-1-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)imidazol-3-ium-1-carboxamide
PubChem CID79486718
Molecular FormulaC13H18N3OS+
Molecular Weight264.37 g/mol
Exact Mass264.12
IUPAC NameN,3-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)imidazol-3-ium-1-carboxamide
SMILESCC(Cc1cccs1)N(C)C(=O)n1cc[n+](C)c1
InChIInChI=1S/C13H18N3OS/c1-11(9-12-5-4-8-18-12)15(3)13(17)16-7-6-14(2)10-16/h4-8,10-11H,9H2,1-3H3/q+1
InChIKeyHZOMSPIXYCCUHI-UHFFFAOYSA-N
XLogP1.91
TPSA29.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]benzoic acid
CID 79488943
3-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 79494414
4-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79470906
2-(2-hydroxyphenyl)-N-methyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 96570370
4-hydrazinyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79487999
2-iodo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79493991
(2R)-2-amino-N-methyl-2-phenyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 79494338
2-[[2-[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]acetyl]amino]acetic acid
CID 79488505
4-hydroxy-N,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 103865710
6-amino-N,4,4-trimethyl-N-(1-thiophen-2-ylpropan-2-yl)hexanamide
CID 79494026
3-[ethyl-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 79488513
3-ethyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea
CID 115673594

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)imidazol-3-ium-1-carboxamide?
The IUPAC name of N,3-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)imidazol-3-ium-1-carboxamide (CID 79486718) is N,3-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)imidazol-3-ium-1-carboxamide.
What is the SMILES notation for N,3-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)imidazol-3-ium-1-carboxamide?
The canonical SMILES for N,3-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)imidazol-3-ium-1-carboxamide is CC(Cc1cccs1)N(C)C(=O)n1cc[n+](C)c1.
What is the InChIKey of N,3-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)imidazol-3-ium-1-carboxamide?
The InChIKey is HZOMSPIXYCCUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N3OS/c1-11(9-12-5-4-8-18-12)15(3)13(17)16-7-6-14(2)10-16/h4-8,10-11H,9H2,1-3H3/q+1.
What are the key properties of N,3-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)imidazol-3-ium-1-carboxamide?
N,3-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)imidazol-3-ium-1-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)imidazol-3-ium-1-carboxamide is sourced from PubChem (CID 79486718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).