2-cyclohexyl-3-nitrothiophene

C10H13NO2S — CID 46210762

IUPAC2-cyclohexyl-3-nitrothiophene
SMILESO=[N+]([O-])c1ccsc1C1CCCCC1
InChIInChI=1S/C10H13NO2S/c12-11(13)9-6-7-14-10(9)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyXULPFJKCUZMJAF-UHFFFAOYSA-N
MW211.29 g/mol
LogP3.70
Rot. Bonds2

About 2-cyclohexyl-3-nitrothiophene

2-cyclohexyl-3-nitrothiophene (PubChem CID 46210762) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-cyclohexyl-3-nitrothiophene.

Molecular Properties

Compound Name2-cyclohexyl-3-nitrothiophene
PubChem CID46210762
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name2-cyclohexyl-3-nitrothiophene
SMILESO=[N+]([O-])c1ccsc1C1CCCCC1
InChIInChI=1S/C10H13NO2S/c12-11(13)9-6-7-14-10(9)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyXULPFJKCUZMJAF-UHFFFAOYSA-N
XLogP3.70
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Thiophene, 3-(2-nitrophenyl)-
CID 11367733
2-(4-Nitrophenyl)thiophene
CID 609512
2-[(4-Nitrophenyl)methylsulfanyl]thiophene
CID 2819614
2-(2-Nitrophenyl)thiophene
CID 9167261
3-Methyl-2-(4-nitrophenyl)thiophene
CID 15211844
2-(3-Nitrophenyl)thiophene
CID 3614084
3-Nitro-2-phenylthiophene
CID 18925396
3-Nitro-2-[4-(trifluoromethyl)phenyl]thiophene
CID 18925417
2-[2-(4-Nitro-phenyl)-vinyl]-thiophene
CID 12145156
5-Methyl-3-nitro-2-cyclopropylthiophene
CID 12643440
5-Benzyl-3-nitro-2-thiophenthiol
CID 14943698
3-Nitro-2-(2-nitrophenyl)thiophene
CID 46210343

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-nitrothiophene?
The IUPAC name of 2-cyclohexyl-3-nitrothiophene (CID 46210762) is 2-cyclohexyl-3-nitrothiophene.
What is the SMILES notation for 2-cyclohexyl-3-nitrothiophene?
The canonical SMILES for 2-cyclohexyl-3-nitrothiophene is O=[N+]([O-])c1ccsc1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-3-nitrothiophene?
The InChIKey is XULPFJKCUZMJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c12-11(13)9-6-7-14-10(9)8-4-2-1-3-5-8/h6-8H,1-5H2.
What are the key properties of 2-cyclohexyl-3-nitrothiophene?
2-cyclohexyl-3-nitrothiophene has a molecular weight of 211.29 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-nitrothiophene is sourced from PubChem (CID 46210762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).