N-[(1S,2S)-2-hydroxycyclohexyl]-5-iodothiophene-3-carboxamide

C11H14INO2S — CID 104956640

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-5-iodothiophene-3-carboxamide
SMILESO=C(N[C@H]1CCCC[C@@H]1O)c1csc(I)c1
InChIInChI=1S/C11H14INO2S/c12-10-5-7(6-16-10)11(15)13-8-3-1-2-4-9(8)14/h5-6,8-9,14H,1-4H2,(H,13,15)/t8-,9-/m0/s1
InChIKeyRGHMMDDCCFAPDN-IUCAKERBSA-N
MW351.21 g/mol
LogP2.39
Rot. Bonds2

About N-[(1S,2S)-2-hydroxycyclohexyl]-5-iodothiophene-3-carboxamide

N-[(1S,2S)-2-hydroxycyclohexyl]-5-iodothiophene-3-carboxamide (PubChem CID 104956640) has the molecular formula C11H14INO2S and a molecular weight of 351.21 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-5-iodothiophene-3-carboxamide
PubChem CID104956640
Molecular FormulaC11H14INO2S
Molecular Weight351.21 g/mol
Exact Mass350.98
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-5-iodothiophene-3-carboxamide
SMILESO=C(N[C@H]1CCCC[C@@H]1O)c1csc(I)c1
InChIInChI=1S/C11H14INO2S/c12-10-5-7(6-16-10)11(15)13-8-3-1-2-4-9(8)14/h5-6,8-9,14H,1-4H2,(H,13,15)/t8-,9-/m0/s1
InChIKeyRGHMMDDCCFAPDN-IUCAKERBSA-N
XLogP2.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.21
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorocyclohexyl)-5-iodothiophene-3-carboxamide
CID 114301116
N-[2-(aminomethyl)cyclohexyl]-5-iodothiophene-3-carboxamide
CID 79692726
5-iodo-N-(2-methoxycyclopentyl)thiophene-3-carboxamide
CID 79692869
N-[2-(aminomethyl)cyclopentyl]-5-iodothiophene-3-carboxamide;hydrochloride
CID 119601552
N-(2-hydroxycyclohexyl)-4-iodobenzamide
CID 62365415
N-(cyclopentylmethyl)-5-iodothiophene-3-carboxamide
CID 78948345
5-(4-hydroxybut-1-ynyl)-N-(2-hydroxycyclohexyl)thiophene-3-carboxamide
CID 79696708
3-[(5-iodothiophene-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 79685648
3,5-difluoro-N-(2-hydroxycyclohexyl)benzamide
CID 55063928
N-(3-aminocyclobutyl)-5-iodothiophene-3-carboxamide
CID 79693813
3-chloro-N-(2-hydroxycyclohexyl)-4-iodobenzamide
CID 103855445
N-[(1R,2R)-2-hydroxycyclopentyl]benzamide
CID 36691439

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-5-iodothiophene-3-carboxamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-5-iodothiophene-3-carboxamide (CID 104956640) is N-[(1S,2S)-2-hydroxycyclohexyl]-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-5-iodothiophene-3-carboxamide is O=C(N[C@H]1CCCC[C@@H]1O)c1csc(I)c1.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-5-iodothiophene-3-carboxamide?
The InChIKey is RGHMMDDCCFAPDN-IUCAKERBSA-N. The full InChI is InChI=1S/C11H14INO2S/c12-10-5-7(6-16-10)11(15)13-8-3-1-2-4-9(8)14/h5-6,8-9,14H,1-4H2,(H,13,15)/t8-,9-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-5-iodothiophene-3-carboxamide?
N-[(1S,2S)-2-hydroxycyclohexyl]-5-iodothiophene-3-carboxamide has a molecular weight of 351.21 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclohexyl]-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 104956640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).