N-[1-(4-chlorophenyl)-2-nitropropyl]-N-(1-thiophen-2-ylpropan-2-yl)hydroxylamine

C16H19ClN2O3S — CID 24795367

IUPACN-[1-(4-chlorophenyl)-2-nitropropyl]-N-(1-thiophen-2-ylpropan-2-yl)hydroxylamine
SMILESCC(Cc1cccs1)N(O)C(c1ccc(Cl)cc1)C(C)[N+](=O)[O-]
InChIInChI=1S/C16H19ClN2O3S/c1-11(10-15-4-3-9-23-15)18(20)16(12(2)19(21)22)13-5-7-14(17)8-6-13/h3-9,11-12,16,20H,10H2,1-2H3
InChIKeyASAJMKTXSTWQHG-UHFFFAOYSA-N
MW354.86 g/mol
LogP4.43
Rot. Bonds7

About N-[1-(4-chlorophenyl)-2-nitropropyl]-N-(1-thiophen-2-ylpropan-2-yl)hydroxylamine

N-[1-(4-chlorophenyl)-2-nitropropyl]-N-(1-thiophen-2-ylpropan-2-yl)hydroxylamine (PubChem CID 24795367) has the molecular formula C16H19ClN2O3S and a molecular weight of 354.86 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-nitropropyl]-N-(1-thiophen-2-ylpropan-2-yl)hydroxylamine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-nitropropyl]-N-(1-thiophen-2-ylpropan-2-yl)hydroxylamine
PubChem CID24795367
Molecular FormulaC16H19ClN2O3S
Molecular Weight354.86 g/mol
Exact Mass354.08
IUPAC NameN-[1-(4-chlorophenyl)-2-nitropropyl]-N-(1-thiophen-2-ylpropan-2-yl)hydroxylamine
SMILESCC(Cc1cccs1)N(O)C(c1ccc(Cl)cc1)C(C)[N+](=O)[O-]
InChIInChI=1S/C16H19ClN2O3S/c1-11(10-15-4-3-9-23-15)18(20)16(12(2)19(21)22)13-5-7-14(17)8-6-13/h3-9,11-12,16,20H,10H2,1-2H3
InChIKeyASAJMKTXSTWQHG-UHFFFAOYSA-N
XLogP4.43
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.86
LogP ≤ 54.43
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

N-[(4-chlorophenyl)methyl]-4-propan-2-yl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 2402599
(2S)-2-(4-chlorophenyl)-3-thiophen-2-ylpropanoic acid
CID 42051111
3-chloro-N-methyl-2-nitro-N-(1-thiophen-2-ylpropan-2-yl)aniline
CID 104839090
1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79485730
N-[(4-chlorophenyl)methyl]-3,3-dimethyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]butanamide
CID 2370945
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79470909
2-[3-bromo-2-(4-chlorophenyl)propyl]thiophene
CID 79434107
6-chloro-N-methyl-5-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 79488086
1-(3-chlorophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
CID 79486408
N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-(2-nitro-1-phenylpropyl)hydroxylamine
CID 24795365
2-methyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79486869
5-chloro-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]aniline
CID 79476388

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2-nitropropyl]-N-(1-thiophen-2-ylpropan-2-yl)hydroxylamine?
The IUPAC name of N-[1-(4-chlorophenyl)-2-nitropropyl]-N-(1-thiophen-2-ylpropan-2-yl)hydroxylamine (CID 24795367) is N-[1-(4-chlorophenyl)-2-nitropropyl]-N-(1-thiophen-2-ylpropan-2-yl)hydroxylamine.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-nitropropyl]-N-(1-thiophen-2-ylpropan-2-yl)hydroxylamine?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-nitropropyl]-N-(1-thiophen-2-ylpropan-2-yl)hydroxylamine is CC(Cc1cccs1)N(O)C(c1ccc(Cl)cc1)C(C)[N+](=O)[O-].
What is the InChIKey of N-[1-(4-chlorophenyl)-2-nitropropyl]-N-(1-thiophen-2-ylpropan-2-yl)hydroxylamine?
The InChIKey is ASAJMKTXSTWQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3S/c1-11(10-15-4-3-9-23-15)18(20)16(12(2)19(21)22)13-5-7-14(17)8-6-13/h3-9,11-12,16,20H,10H2,1-2H3.
What are the key properties of N-[1-(4-chlorophenyl)-2-nitropropyl]-N-(1-thiophen-2-ylpropan-2-yl)hydroxylamine?
N-[1-(4-chlorophenyl)-2-nitropropyl]-N-(1-thiophen-2-ylpropan-2-yl)hydroxylamine has a molecular weight of 354.86 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2-nitropropyl]-N-(1-thiophen-2-ylpropan-2-yl)hydroxylamine is sourced from PubChem (CID 24795367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).