N-(2-nitro-1-phenylpropyl)-N-(1-thiophen-2-ylpropan-2-yl)hydroxylamine

C16H20N2O3S — CID 24795366

IUPACN-(2-nitro-1-phenylpropyl)-N-(1-thiophen-2-ylpropan-2-yl)hydroxylamine
SMILESCC(Cc1cccs1)N(O)C(c1ccccc1)C(C)[N+](=O)[O-]
InChIInChI=1S/C16H20N2O3S/c1-12(11-15-9-6-10-22-15)17(19)16(13(2)18(20)21)14-7-4-3-5-8-14/h3-10,12-13,16,19H,11H2,1-2H3
InChIKeyCVGIXIRHIWFHBX-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.78
Rot. Bonds7

About N-(2-nitro-1-phenylpropyl)-N-(1-thiophen-2-ylpropan-2-yl)hydroxylamine

N-(2-nitro-1-phenylpropyl)-N-(1-thiophen-2-ylpropan-2-yl)hydroxylamine (PubChem CID 24795366) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-(2-nitro-1-phenylpropyl)-N-(1-thiophen-2-ylpropan-2-yl)hydroxylamine.

Molecular Properties

Compound NameN-(2-nitro-1-phenylpropyl)-N-(1-thiophen-2-ylpropan-2-yl)hydroxylamine
PubChem CID24795366
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC NameN-(2-nitro-1-phenylpropyl)-N-(1-thiophen-2-ylpropan-2-yl)hydroxylamine
SMILESCC(Cc1cccs1)N(O)C(c1ccccc1)C(C)[N+](=O)[O-]
InChIInChI=1S/C16H20N2O3S/c1-12(11-15-9-6-10-22-15)17(19)16(13(2)18(20)21)14-7-4-3-5-8-14/h3-10,12-13,16,19H,11H2,1-2H3
InChIKeyCVGIXIRHIWFHBX-UHFFFAOYSA-N
XLogP3.78
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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CID 3061993
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CID 12273086
(2R)-1-methyl-2-phenyl-4-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperazine
CID 124752129
5-[2-(dimethylamino)-1-nitrosoethyl]-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-sulfonamide
CID 91215086
(2S)-N-benzyl-N-(thiophen-2-ylmethyl)butan-2-amine
CID 122393141
1-Methyl-4-(3-phenyl-1-thiophen-2-ylpropyl)piperazine
CID 218014
N,N-diethyl-2-phenyl-1-thiophen-2-ylethanamine
CID 3061994
(2-(2-Thienyl)ethyl)((R)-1-nitro-2-phenyl-3,3,3-trifluoropropane-2-yl)amine
CID 132566799
2,6-Dimethyl-3-phenyl-5-(thiophen-2-yl)pyrazine 1,4-dioxide
CID 781059
N-methyl-N-(2-phenylethyl)-1-(2-thienylmethyl)-3-piperidinamine
CID 45189224
N-methyl-N-(2-phenylethyl)-1-(3-thienylmethyl)-3-piperidinamine
CID 45251301
(2S,3R,4S)-N,N-dimethyl-3-nitro-2-phenyl-6-thiophen-2-yl-3,4-dihydro-2H-thiopyran-4-amine
CID 15518926

Frequently Asked Questions

What is the IUPAC name of N-(2-nitro-1-phenylpropyl)-N-(1-thiophen-2-ylpropan-2-yl)hydroxylamine?
The IUPAC name of N-(2-nitro-1-phenylpropyl)-N-(1-thiophen-2-ylpropan-2-yl)hydroxylamine (CID 24795366) is N-(2-nitro-1-phenylpropyl)-N-(1-thiophen-2-ylpropan-2-yl)hydroxylamine.
What is the SMILES notation for N-(2-nitro-1-phenylpropyl)-N-(1-thiophen-2-ylpropan-2-yl)hydroxylamine?
The canonical SMILES for N-(2-nitro-1-phenylpropyl)-N-(1-thiophen-2-ylpropan-2-yl)hydroxylamine is CC(Cc1cccs1)N(O)C(c1ccccc1)C(C)[N+](=O)[O-].
What is the InChIKey of N-(2-nitro-1-phenylpropyl)-N-(1-thiophen-2-ylpropan-2-yl)hydroxylamine?
The InChIKey is CVGIXIRHIWFHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-12(11-15-9-6-10-22-15)17(19)16(13(2)18(20)21)14-7-4-3-5-8-14/h3-10,12-13,16,19H,11H2,1-2H3.
What are the key properties of N-(2-nitro-1-phenylpropyl)-N-(1-thiophen-2-ylpropan-2-yl)hydroxylamine?
N-(2-nitro-1-phenylpropyl)-N-(1-thiophen-2-ylpropan-2-yl)hydroxylamine has a molecular weight of 320.41 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitro-1-phenylpropyl)-N-(1-thiophen-2-ylpropan-2-yl)hydroxylamine is sourced from PubChem (CID 24795366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).