(Z)-N-(4-methylpiperazin-1-yl)-1-(5-nitrothiophen-2-yl)methanimine

C10H14N4O2S — CID 5413963

IUPAC(Z)-N-(4-methylpiperazin-1-yl)-1-(5-nitrothiophen-2-yl)methanimine
SMILESCN1CCN(/N=C\c2ccc([N+](=O)[O-])s2)CC1
InChIInChI=1S/C10H14N4O2S/c1-12-4-6-13(7-5-12)11-8-9-2-3-10(17-9)14(15)16/h2-3,8H,4-7H2,1H3/b11-8-
InChIKeyLUDQIZDDZYJKOM-FLIBITNWSA-N
MW254.31 g/mol
LogP1.24
Rot. Bonds3

About (Z)-N-(4-methylpiperazin-1-yl)-1-(5-nitrothiophen-2-yl)methanimine

(Z)-N-(4-methylpiperazin-1-yl)-1-(5-nitrothiophen-2-yl)methanimine (PubChem CID 5413963) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is (Z)-N-(4-methylpiperazin-1-yl)-1-(5-nitrothiophen-2-yl)methanimine.

Molecular Properties

Compound Name(Z)-N-(4-methylpiperazin-1-yl)-1-(5-nitrothiophen-2-yl)methanimine
PubChem CID5413963
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name(Z)-N-(4-methylpiperazin-1-yl)-1-(5-nitrothiophen-2-yl)methanimine
SMILESCN1CCN(/N=C\c2ccc([N+](=O)[O-])s2)CC1
InChIInChI=1S/C10H14N4O2S/c1-12-4-6-13(7-5-12)11-8-9-2-3-10(17-9)14(15)16/h2-3,8H,4-7H2,1H3/b11-8-
InChIKeyLUDQIZDDZYJKOM-FLIBITNWSA-N
XLogP1.24
TPSA61.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(5-nitrothiophen-2-yl)methanimine oxide
CID 164622983
N-tert-butyl-1-(5-nitrothiophen-2-yl)methanimine oxide
CID 164627317
N-morpholin-4-yl-1-(5-nitrothiophen-2-yl)methanimine
CID 304626
1,1-diethyl-3-[(E)-(5-nitrothiophen-2-yl)methylideneamino]thiourea
CID 11346703
(E)-4-methyl-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-3-prop-2-enyl-1,3-thiazol-2-imine
CID 90675441
(E)-4-methyl-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-3-prop-2-enyl-1,3-thiazol-2-imine
CID 118718852
1-Methyl-4-[(5-nitro-2-thienyl)methyl]piperazine
CID 677232
1-Ethyl-3-{[(5-nitrothiophen-2-yl)methylidene]amino}imidazolidin-2-one
CID 71373315
4-methyl-N-[(5-nitro-2-thienyl)methylene]-1-piperazinamine
CID 5342659
(E)-1-(5-nitrothiophen-2-yl)-N-piperidin-1-ylmethanimine
CID 9554637
Morpholino-[(5-nitro-2-thienyl)methylene]amine
CID 9554805
N-(4-methylpiperazin-1-yl)-1-(5-nitrothiophen-2-yl)methanimine
CID 869868

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-methylpiperazin-1-yl)-1-(5-nitrothiophen-2-yl)methanimine?
The IUPAC name of (Z)-N-(4-methylpiperazin-1-yl)-1-(5-nitrothiophen-2-yl)methanimine (CID 5413963) is (Z)-N-(4-methylpiperazin-1-yl)-1-(5-nitrothiophen-2-yl)methanimine.
What is the SMILES notation for (Z)-N-(4-methylpiperazin-1-yl)-1-(5-nitrothiophen-2-yl)methanimine?
The canonical SMILES for (Z)-N-(4-methylpiperazin-1-yl)-1-(5-nitrothiophen-2-yl)methanimine is CN1CCN(/N=C\c2ccc([N+](=O)[O-])s2)CC1.
What is the InChIKey of (Z)-N-(4-methylpiperazin-1-yl)-1-(5-nitrothiophen-2-yl)methanimine?
The InChIKey is LUDQIZDDZYJKOM-FLIBITNWSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-12-4-6-13(7-5-12)11-8-9-2-3-10(17-9)14(15)16/h2-3,8H,4-7H2,1H3/b11-8-.
What are the key properties of (Z)-N-(4-methylpiperazin-1-yl)-1-(5-nitrothiophen-2-yl)methanimine?
(Z)-N-(4-methylpiperazin-1-yl)-1-(5-nitrothiophen-2-yl)methanimine has a molecular weight of 254.31 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-methylpiperazin-1-yl)-1-(5-nitrothiophen-2-yl)methanimine is sourced from PubChem (CID 5413963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).