N-hexyl-2-nitrothiophen-3-amine

C10H16N2O2S — CID 3078774

IUPACN-hexyl-2-nitrothiophen-3-amine
SMILESCCCCCCNc1ccsc1[N+](=O)[O-]
InChIInChI=1S/C10H16N2O2S/c1-2-3-4-5-7-11-9-6-8-15-10(9)12(13)14/h6,8,11H,2-5,7H2,1H3
InChIKeyYPIFAZUBVSQCHJ-UHFFFAOYSA-N
MW228.32 g/mol
LogP3.65
Rot. Bonds7

About N-hexyl-2-nitrothiophen-3-amine

N-hexyl-2-nitrothiophen-3-amine (PubChem CID 3078774) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is N-hexyl-2-nitrothiophen-3-amine.

Molecular Properties

Compound NameN-hexyl-2-nitrothiophen-3-amine
PubChem CID3078774
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC NameN-hexyl-2-nitrothiophen-3-amine
SMILESCCCCCCNc1ccsc1[N+](=O)[O-]
InChIInChI=1S/C10H16N2O2S/c1-2-3-4-5-7-11-9-6-8-15-10(9)12(13)14/h6,8,11H,2-5,7H2,1H3
InChIKeyYPIFAZUBVSQCHJ-UHFFFAOYSA-N
XLogP3.65
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-nitrothiophen-3-amine?
The IUPAC name of N-hexyl-2-nitrothiophen-3-amine (CID 3078774) is N-hexyl-2-nitrothiophen-3-amine.
What is the SMILES notation for N-hexyl-2-nitrothiophen-3-amine?
The canonical SMILES for N-hexyl-2-nitrothiophen-3-amine is CCCCCCNc1ccsc1[N+](=O)[O-].
What is the InChIKey of N-hexyl-2-nitrothiophen-3-amine?
The InChIKey is YPIFAZUBVSQCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-2-3-4-5-7-11-9-6-8-15-10(9)12(13)14/h6,8,11H,2-5,7H2,1H3.
What are the key properties of N-hexyl-2-nitrothiophen-3-amine?
N-hexyl-2-nitrothiophen-3-amine has a molecular weight of 228.32 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-nitrothiophen-3-amine is sourced from PubChem (CID 3078774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).