1-(5-chlorothiophen-2-yl)-N-[(5-nitrothiophen-3-yl)methyl]methanamine

C10H9ClN2O2S2 — CID 62316220

IUPAC1-(5-chlorothiophen-2-yl)-N-[(5-nitrothiophen-3-yl)methyl]methanamine
SMILESO=[N+]([O-])c1cc(CNCc2ccc(Cl)s2)cs1
InChIInChI=1S/C10H9ClN2O2S2/c11-9-2-1-8(17-9)5-12-4-7-3-10(13(14)15)16-6-7/h1-3,6,12H,4-5H2
InChIKeyDLPHYBZGZJQPTR-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.66
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-N-[(5-nitrothiophen-3-yl)methyl]methanamine

1-(5-chlorothiophen-2-yl)-N-[(5-nitrothiophen-3-yl)methyl]methanamine (PubChem CID 62316220) has the molecular formula C10H9ClN2O2S2 and a molecular weight of 288.78 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-[(5-nitrothiophen-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-[(5-nitrothiophen-3-yl)methyl]methanamine
PubChem CID62316220
Molecular FormulaC10H9ClN2O2S2
Molecular Weight288.78 g/mol
Exact Mass287.98
IUPAC Name1-(5-chlorothiophen-2-yl)-N-[(5-nitrothiophen-3-yl)methyl]methanamine
SMILESO=[N+]([O-])c1cc(CNCc2ccc(Cl)s2)cs1
InChIInChI=1S/C10H9ClN2O2S2/c11-9-2-1-8(17-9)5-12-4-7-3-10(13(14)15)16-6-7/h1-3,6,12H,4-5H2
InChIKeyDLPHYBZGZJQPTR-UHFFFAOYSA-N
XLogP3.66
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.66
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

1-(5-nitrothiophen-3-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 104589023
1-(4-fluorophenyl)-N-[(5-nitrothiophen-3-yl)methyl]methanamine
CID 54921137
1-(2-bromophenyl)-N-[(5-nitrothiophen-3-yl)methyl]methanamine
CID 61402045
N-[(5-nitrothiophen-3-yl)methyl]butan-1-amine
CID 60811802
N',N'-dimethyl-N-[(5-nitrothiophen-3-yl)methyl]ethane-1,2-diamine
CID 60811272
1-(5-chlorothiophen-2-yl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 63001164
3-[(5-nitrothiophen-3-yl)methylamino]propanamide
CID 60810576
2-methyl-N-[(5-nitrothiophen-3-yl)methyl]propan-2-amine
CID 60811398
2-ethoxy-N-[(5-nitrothiophen-3-yl)methyl]ethanamine
CID 60811013
N',N'-dimethyl-N-[(5-nitrothiophen-3-yl)methyl]propane-1,3-diamine
CID 60810721
4-[(5-nitrothiophen-3-yl)methylamino]butanamide
CID 60863590
1-[2-(difluoromethoxy)phenyl]-N-[(5-nitrothiophen-3-yl)methyl]methanamine
CID 60811675

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[(5-nitrothiophen-3-yl)methyl]methanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[(5-nitrothiophen-3-yl)methyl]methanamine (CID 62316220) is 1-(5-chlorothiophen-2-yl)-N-[(5-nitrothiophen-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-[(5-nitrothiophen-3-yl)methyl]methanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-[(5-nitrothiophen-3-yl)methyl]methanamine is O=[N+]([O-])c1cc(CNCc2ccc(Cl)s2)cs1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-[(5-nitrothiophen-3-yl)methyl]methanamine?
The InChIKey is DLPHYBZGZJQPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2S2/c11-9-2-1-8(17-9)5-12-4-7-3-10(13(14)15)16-6-7/h1-3,6,12H,4-5H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-[(5-nitrothiophen-3-yl)methyl]methanamine?
1-(5-chlorothiophen-2-yl)-N-[(5-nitrothiophen-3-yl)methyl]methanamine has a molecular weight of 288.78 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-[(5-nitrothiophen-3-yl)methyl]methanamine is sourced from PubChem (CID 62316220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).