N-[1-(hydroxymethyl)cyclopentyl]-5-nitrothiophene-2-carboxamide

C11H14N2O4S — CID 55082053

IUPACN-[1-(hydroxymethyl)cyclopentyl]-5-nitrothiophene-2-carboxamide
SMILESO=C(NC1(CO)CCCC1)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C11H14N2O4S/c14-7-11(5-1-2-6-11)12-10(15)8-3-4-9(18-8)13(16)17/h3-4,14H,1-2,5-7H2,(H,12,15)
InChIKeyJBWWUXFPDTYOTL-UHFFFAOYSA-N
MW270.31 g/mol
LogP1.69
Rot. Bonds4

About N-[1-(hydroxymethyl)cyclopentyl]-5-nitrothiophene-2-carboxamide

N-[1-(hydroxymethyl)cyclopentyl]-5-nitrothiophene-2-carboxamide (PubChem CID 55082053) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopentyl]-5-nitrothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopentyl]-5-nitrothiophene-2-carboxamide
PubChem CID55082053
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC NameN-[1-(hydroxymethyl)cyclopentyl]-5-nitrothiophene-2-carboxamide
SMILESO=C(NC1(CO)CCCC1)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C11H14N2O4S/c14-7-11(5-1-2-6-11)12-10(15)8-3-4-9(18-8)13(16)17/h3-4,14H,1-2,5-7H2,(H,12,15)
InChIKeyJBWWUXFPDTYOTL-UHFFFAOYSA-N
XLogP1.69
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
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

N-[1-(hydroxymethyl)cyclohexyl]-5-methylthiophene-2-carboxamide
CID 55082075
N-hydroxy-5-nitrothiophene-2-carboxamide
CID 103601594
5-acetamido-N-[1-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide
CID 62525158
2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-6-nitrobenzamide
CID 63658968
4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-3-nitrobenzamide
CID 62517569
2-[1-[(5-bromothiophene-2-carbonyl)amino]cyclobutyl]acetic acid
CID 79846619
N-[1-(hydroxymethyl)cyclobutyl]-3-nitrobenzamide
CID 115878142
4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]-3-nitrobenzamide
CID 62520955
N-[(4-hydroxyoxan-4-yl)methyl]-5-nitrothiophene-2-carboxamide
CID 79040020
N-[(1S,2R)-2-(2-hydroxyethyl)cyclopentyl]-5-nitrothiophene-2-carboxamide
CID 99787920
N-(2-hydroxy-1-phenylethyl)-5-nitrothiophene-2-carboxamide
CID 63182470
N-[1-(hydroxymethyl)cyclohexyl]-2-(2-nitrophenyl)acetamide
CID 62521825

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-5-nitrothiophene-2-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-5-nitrothiophene-2-carboxamide (CID 55082053) is N-[1-(hydroxymethyl)cyclopentyl]-5-nitrothiophene-2-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopentyl]-5-nitrothiophene-2-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopentyl]-5-nitrothiophene-2-carboxamide is O=C(NC1(CO)CCCC1)c1ccc([N+](=O)[O-])s1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopentyl]-5-nitrothiophene-2-carboxamide?
The InChIKey is JBWWUXFPDTYOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c14-7-11(5-1-2-6-11)12-10(15)8-3-4-9(18-8)13(16)17/h3-4,14H,1-2,5-7H2,(H,12,15).
What are the key properties of N-[1-(hydroxymethyl)cyclopentyl]-5-nitrothiophene-2-carboxamide?
N-[1-(hydroxymethyl)cyclopentyl]-5-nitrothiophene-2-carboxamide has a molecular weight of 270.31 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopentyl]-5-nitrothiophene-2-carboxamide is sourced from PubChem (CID 55082053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).