N-(2-hydroxycyclohexyl)-N-methyl-5-nitrothiophene-2-carboxamide

C12H16N2O4S — CID 102634684

IUPACN-(2-hydroxycyclohexyl)-N-methyl-5-nitrothiophene-2-carboxamide
SMILESCN(C(=O)c1ccc([N+](=O)[O-])s1)C1CCCCC1O
InChIInChI=1S/C12H16N2O4S/c1-13(8-4-2-3-5-9(8)15)12(16)10-6-7-11(19-10)14(17)18/h6-9,15H,2-5H2,1H3
InChIKeyOAHQRXNKQQQSSB-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.03
Rot. Bonds3

About N-(2-hydroxycyclohexyl)-N-methyl-5-nitrothiophene-2-carboxamide

N-(2-hydroxycyclohexyl)-N-methyl-5-nitrothiophene-2-carboxamide (PubChem CID 102634684) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-N-methyl-5-nitrothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-N-methyl-5-nitrothiophene-2-carboxamide
PubChem CID102634684
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC NameN-(2-hydroxycyclohexyl)-N-methyl-5-nitrothiophene-2-carboxamide
SMILESCN(C(=O)c1ccc([N+](=O)[O-])s1)C1CCCCC1O
InChIInChI=1S/C12H16N2O4S/c1-13(8-4-2-3-5-9(8)15)12(16)10-6-7-11(19-10)14(17)18/h6-9,15H,2-5H2,1H3
InChIKeyOAHQRXNKQQQSSB-UHFFFAOYSA-N
XLogP2.03
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.03
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

5-ethyl-N-(2-hydroxycyclohexyl)-N-methylthiophene-2-carboxamide
CID 102634720
N-cyclopentyl-N-ethyl-5-nitrothiophene-2-carboxamide
CID 134059838
N-(2-hydroxycyclohexyl)-N-methyl-5-nitro-1H-pyrrole-2-carboxamide
CID 102634964
N-[(1R,2R)-2-hydroxycyclohexyl]-N,2-dimethyl-3-nitrobenzamide
CID 19061815
N-(2-hydroxycyclohexyl)-N,1-dimethyl-5-nitropyrrole-2-carboxamide
CID 102634739
2-[cyclopentyl-(5-nitrothiophene-2-carbonyl)amino]acetic acid
CID 60826019
N-(2-bromocyclohexyl)-N,5-dimethylthiophene-2-carboxamide
CID 102638491
3-[cyclopropyl-(5-nitrothiophene-2-carbonyl)amino]propanoic acid
CID 60844872
N-(2-bromocyclohexyl)-5-ethyl-N-methylthiophene-2-carboxamide
CID 102638346
5-nitro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide
CID 106625686
N-(2-hydroxycyclohexyl)-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 102635297
N-(2-hydroxycyclohexyl)-N-methyl-4-sulfanylbenzamide
CID 107036646

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-N-methyl-5-nitrothiophene-2-carboxamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-N-methyl-5-nitrothiophene-2-carboxamide (CID 102634684) is N-(2-hydroxycyclohexyl)-N-methyl-5-nitrothiophene-2-carboxamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-N-methyl-5-nitrothiophene-2-carboxamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-N-methyl-5-nitrothiophene-2-carboxamide is CN(C(=O)c1ccc([N+](=O)[O-])s1)C1CCCCC1O.
What is the InChIKey of N-(2-hydroxycyclohexyl)-N-methyl-5-nitrothiophene-2-carboxamide?
The InChIKey is OAHQRXNKQQQSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-13(8-4-2-3-5-9(8)15)12(16)10-6-7-11(19-10)14(17)18/h6-9,15H,2-5H2,1H3.
What are the key properties of N-(2-hydroxycyclohexyl)-N-methyl-5-nitrothiophene-2-carboxamide?
N-(2-hydroxycyclohexyl)-N-methyl-5-nitrothiophene-2-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-N-methyl-5-nitrothiophene-2-carboxamide is sourced from PubChem (CID 102634684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).