N-benzyl-2-nitroso-N-(thiophen-2-ylmethyl)propan-1-amine

C15H18N2OS — CID 91286285

IUPACN-benzyl-2-nitroso-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCC(CN(Cc1ccccc1)Cc1cccs1)N=O
InChIInChI=1S/C15H18N2OS/c1-13(16-18)10-17(12-15-8-5-9-19-15)11-14-6-3-2-4-7-14/h2-9,13H,10-12H2,1H3
InChIKeyFPWJROIYIIMXBS-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.91
Rot. Bonds7

About N-benzyl-2-nitroso-N-(thiophen-2-ylmethyl)propan-1-amine

N-benzyl-2-nitroso-N-(thiophen-2-ylmethyl)propan-1-amine (PubChem CID 91286285) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-benzyl-2-nitroso-N-(thiophen-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-benzyl-2-nitroso-N-(thiophen-2-ylmethyl)propan-1-amine
PubChem CID91286285
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-benzyl-2-nitroso-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCC(CN(Cc1ccccc1)Cc1cccs1)N=O
InChIInChI=1S/C15H18N2OS/c1-13(16-18)10-17(12-15-8-5-9-19-15)11-14-6-3-2-4-7-14/h2-9,13H,10-12H2,1H3
InChIKeyFPWJROIYIIMXBS-UHFFFAOYSA-N
XLogP3.91
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
(4-Benzylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanethione
CID 2455027
N-benzyl-N-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-6-amine
CID 156020809
N-benzyl-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-6-amine
CID 156021265
1-(4-fluorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)methanamine
CID 94897962
1-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 16192824
Piperazine, 4-methyl-1-(1-(2-thienyl)cyclohexyl)-, hydrochloride
CID 210730
N,N-Diethyl-2-phenyl-1-(thiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1)
CID 3061993
2-Thenylamine, alpha-benzyl-N,N-dimethyl-, hydrochloride
CID 3065791
Benzenemethanamine, N,N-dimethyl-2-(2-thienylthio)-, hydrochloride
CID 3077479
1-Phenyl-N-(2-thienylmethyl)-1-ethanamine
CID 2760382
N-[(2-fluorophenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 75832967

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-nitroso-N-(thiophen-2-ylmethyl)propan-1-amine?
The IUPAC name of N-benzyl-2-nitroso-N-(thiophen-2-ylmethyl)propan-1-amine (CID 91286285) is N-benzyl-2-nitroso-N-(thiophen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-benzyl-2-nitroso-N-(thiophen-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-benzyl-2-nitroso-N-(thiophen-2-ylmethyl)propan-1-amine is CC(CN(Cc1ccccc1)Cc1cccs1)N=O.
What is the InChIKey of N-benzyl-2-nitroso-N-(thiophen-2-ylmethyl)propan-1-amine?
The InChIKey is FPWJROIYIIMXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-13(16-18)10-17(12-15-8-5-9-19-15)11-14-6-3-2-4-7-14/h2-9,13H,10-12H2,1H3.
What are the key properties of N-benzyl-2-nitroso-N-(thiophen-2-ylmethyl)propan-1-amine?
N-benzyl-2-nitroso-N-(thiophen-2-ylmethyl)propan-1-amine has a molecular weight of 274.39 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-nitroso-N-(thiophen-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 91286285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).