N-[3-(hydroxymethyl)cyclobutyl]thiophene-3-carboxamide

C10H13NO2S — CID 164653916

IUPACN-[3-(hydroxymethyl)cyclobutyl]thiophene-3-carboxamide
SMILESO=C(NC1CC(CO)C1)c1ccsc1
InChIInChI=1S/C10H13NO2S/c12-5-7-3-9(4-7)11-10(13)8-1-2-14-6-8/h1-2,6-7,9,12H,3-5H2,(H,11,13)
InChIKeyMIDDQRWMSMGBBQ-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.25
Rot. Bonds3

About N-[3-(hydroxymethyl)cyclobutyl]thiophene-3-carboxamide

N-[3-(hydroxymethyl)cyclobutyl]thiophene-3-carboxamide (PubChem CID 164653916) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)cyclobutyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)cyclobutyl]thiophene-3-carboxamide
PubChem CID164653916
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC NameN-[3-(hydroxymethyl)cyclobutyl]thiophene-3-carboxamide
SMILESO=C(NC1CC(CO)C1)c1ccsc1
InChIInChI=1S/C10H13NO2S/c12-5-7-3-9(4-7)11-10(13)8-1-2-14-6-8/h1-2,6-7,9,12H,3-5H2,(H,11,13)
InChIKeyMIDDQRWMSMGBBQ-UHFFFAOYSA-N
XLogP1.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminocyclobutyl)thiophene-3-carboxamide
CID 43594920
N-(azetidin-3-yl)thiophene-3-carboxamide
CID 66187231
N-[1-(4-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide
CID 110931733
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
N-(2-adamantyl)thiophene-3-carboxamide
CID 24555583
N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]thiophene-3-carboxamide
CID 91780129
N-[(3R)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide
CID 95985002
N-[(4aS,6R,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]thiophene-3-carboxamide
CID 124843923
N-[(3S,4R)-4-(thiophene-3-carbonylamino)oxolan-3-yl]thiophene-3-carboxamide
CID 138021648
N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 71645364
N-(3-azabicyclo[3.1.0]hexan-6-yl)thiophene-3-carboxamide
CID 43594331
N-[3-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 62370593

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)cyclobutyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-(hydroxymethyl)cyclobutyl]thiophene-3-carboxamide (CID 164653916) is N-[3-(hydroxymethyl)cyclobutyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-(hydroxymethyl)cyclobutyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-(hydroxymethyl)cyclobutyl]thiophene-3-carboxamide is O=C(NC1CC(CO)C1)c1ccsc1.
What is the InChIKey of N-[3-(hydroxymethyl)cyclobutyl]thiophene-3-carboxamide?
The InChIKey is MIDDQRWMSMGBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c12-5-7-3-9(4-7)11-10(13)8-1-2-14-6-8/h1-2,6-7,9,12H,3-5H2,(H,11,13).
What are the key properties of N-[3-(hydroxymethyl)cyclobutyl]thiophene-3-carboxamide?
N-[3-(hydroxymethyl)cyclobutyl]thiophene-3-carboxamide has a molecular weight of 211.29 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)cyclobutyl]thiophene-3-carboxamide is sourced from PubChem (CID 164653916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).