3-[benzyl(methyl)amino]thiophene-2-carbaldehyde

C13H13NOS — CID 101025514

IUPAC3-[benzyl(methyl)amino]thiophene-2-carbaldehyde
SMILESCN(Cc1ccccc1)c1ccsc1C=O
InChIInChI=1S/C13H13NOS/c1-14(9-11-5-3-2-4-6-11)12-7-8-16-13(12)10-15/h2-8,10H,9H2,1H3
InChIKeyRMWVQFSGKKGRKO-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.20
Rot. Bonds4

About 3-[benzyl(methyl)amino]thiophene-2-carbaldehyde

3-[benzyl(methyl)amino]thiophene-2-carbaldehyde (PubChem CID 101025514) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]thiophene-2-carbaldehyde
PubChem CID101025514
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name3-[benzyl(methyl)amino]thiophene-2-carbaldehyde
SMILESCN(Cc1ccccc1)c1ccsc1C=O
InChIInChI=1S/C13H13NOS/c1-14(9-11-5-3-2-4-6-11)12-7-8-16-13(12)10-15/h2-8,10H,9H2,1H3
InChIKeyRMWVQFSGKKGRKO-UHFFFAOYSA-N
XLogP3.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3-ethylphenyl)methyl-methylamino]phenyl]-N-methylformamide
CID 167055986
3-[(N-methylanilino)methyl]benzaldehyde
CID 122476125
2-[(4-chlorophenyl)methyl-methylamino]benzaldehyde
CID 61415174
4-[benzyl(methyl)amino]-2,1,3-benzoxadiazole-6-carbaldehyde
CID 118391484
N-benzyl-2-(bromomethyl)-N-methylaniline
CID 107079172
2-amino-3-[benzyl(methyl)amino]benzamide
CID 115544396
1-[2-[benzyl(methyl)amino]phenyl]propan-1-one
CID 112677258
N-benzyl-N-(1,3-thiazol-2-yl)formamide
CID 88636518
N-benzyl-N,2,5-trimethylaniline
CID 15439716
N,N-dimethylmethanamine;2-phenylacetaldehyde
CID 87974312
N-benzyl-2,4-difluoro-N-methylaniline
CID 110454539
4-[[benzyl(hydroxy)amino]methyl]benzaldehyde
CID 143874534

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]thiophene-2-carbaldehyde?
The IUPAC name of 3-[benzyl(methyl)amino]thiophene-2-carbaldehyde (CID 101025514) is 3-[benzyl(methyl)amino]thiophene-2-carbaldehyde.
What is the SMILES notation for 3-[benzyl(methyl)amino]thiophene-2-carbaldehyde?
The canonical SMILES for 3-[benzyl(methyl)amino]thiophene-2-carbaldehyde is CN(Cc1ccccc1)c1ccsc1C=O.
What is the InChIKey of 3-[benzyl(methyl)amino]thiophene-2-carbaldehyde?
The InChIKey is RMWVQFSGKKGRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c1-14(9-11-5-3-2-4-6-11)12-7-8-16-13(12)10-15/h2-8,10H,9H2,1H3.
What are the key properties of 3-[benzyl(methyl)amino]thiophene-2-carbaldehyde?
3-[benzyl(methyl)amino]thiophene-2-carbaldehyde has a molecular weight of 231.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)amino]thiophene-2-carbaldehyde is sourced from PubChem (CID 101025514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).