N,N-dimethyl-5-(2-nitro-2-phenylethenyl)thiophen-2-amine

C14H14N2O2S — CID 76948566

IUPACN,N-dimethyl-5-(2-nitro-2-phenylethenyl)thiophen-2-amine
SMILESCN(C)c1ccc(C=C(c2ccccc2)[N+](=O)[O-])s1
InChIInChI=1S/C14H14N2O2S/c1-15(2)14-9-8-12(19-14)10-13(16(17)18)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyUHYBCNPVUPLYCF-UHFFFAOYSA-N
MW274.35 g/mol
LogP3.59
Rot. Bonds4

About N,N-dimethyl-5-(2-nitro-2-phenylethenyl)thiophen-2-amine

N,N-dimethyl-5-(2-nitro-2-phenylethenyl)thiophen-2-amine (PubChem CID 76948566) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is N,N-dimethyl-5-(2-nitro-2-phenylethenyl)thiophen-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-(2-nitro-2-phenylethenyl)thiophen-2-amine
PubChem CID76948566
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC NameN,N-dimethyl-5-(2-nitro-2-phenylethenyl)thiophen-2-amine
SMILESCN(C)c1ccc(C=C(c2ccccc2)[N+](=O)[O-])s1
InChIInChI=1S/C14H14N2O2S/c1-15(2)14-9-8-12(19-14)10-13(16(17)18)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyUHYBCNPVUPLYCF-UHFFFAOYSA-N
XLogP3.59
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-2-nitro-2-phenylethenyl]benzene
CID 2818500
4-(2-nitro-2-phenylethenyl)aniline
CID 54368133
1-tert-butyl-4-(2-nitro-2-phenylethenyl)benzene
CID 76996214
(Z)-4-nitro-4-phenylbut-3-en-2-one
CID 6439839
4-methyl-5-[(Z)-2-nitro-2-phenylethenyl]-1,3-thiazole
CID 169493606
3-nitro-3-phenylprop-2-enoic acid
CID 54438335
(Z)-N,N-diethyl-2-(5-nitrothiophen-2-yl)-1-phenylethenamine
CID 102461491
2-methyl-5-[(E)-2-nitro-2-phenylethenyl]pyridine
CID 104823179
4-(2-nitro-2-phenylethenyl)benzene-1,2-diol
CID 76948542
1-ethoxy-4-(2-nitro-2-phenylethenyl)benzene
CID 76948521
1-cyclopropyl-2-[(E)-2-nitro-2-phenylethenyl]benzene
CID 79971024
2-(2-nitroprop-1-enyl)-5-phenylthiophene
CID 68650604

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-(2-nitro-2-phenylethenyl)thiophen-2-amine?
The IUPAC name of N,N-dimethyl-5-(2-nitro-2-phenylethenyl)thiophen-2-amine (CID 76948566) is N,N-dimethyl-5-(2-nitro-2-phenylethenyl)thiophen-2-amine.
What is the SMILES notation for N,N-dimethyl-5-(2-nitro-2-phenylethenyl)thiophen-2-amine?
The canonical SMILES for N,N-dimethyl-5-(2-nitro-2-phenylethenyl)thiophen-2-amine is CN(C)c1ccc(C=C(c2ccccc2)[N+](=O)[O-])s1.
What is the InChIKey of N,N-dimethyl-5-(2-nitro-2-phenylethenyl)thiophen-2-amine?
The InChIKey is UHYBCNPVUPLYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-15(2)14-9-8-12(19-14)10-13(16(17)18)11-6-4-3-5-7-11/h3-10H,1-2H3.
What are the key properties of N,N-dimethyl-5-(2-nitro-2-phenylethenyl)thiophen-2-amine?
N,N-dimethyl-5-(2-nitro-2-phenylethenyl)thiophen-2-amine has a molecular weight of 274.35 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-(2-nitro-2-phenylethenyl)thiophen-2-amine is sourced from PubChem (CID 76948566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).