N-(3-methyloxetan-3-yl)thiophene-3-carboxamide

C9H11NO2S — CID 144942729

IUPACN-(3-methyloxetan-3-yl)thiophene-3-carboxamide
SMILESCC1(NC(=O)c2ccsc2)COC1
InChIInChI=1S/C9H11NO2S/c1-9(5-12-6-9)10-8(11)7-2-3-13-4-7/h2-4H,5-6H2,1H3,(H,10,11)
InChIKeyCSAFMBZXLIWCBG-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.27
Rot. Bonds2

About N-(3-methyloxetan-3-yl)thiophene-3-carboxamide

N-(3-methyloxetan-3-yl)thiophene-3-carboxamide (PubChem CID 144942729) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is N-(3-methyloxetan-3-yl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-methyloxetan-3-yl)thiophene-3-carboxamide
PubChem CID144942729
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC NameN-(3-methyloxetan-3-yl)thiophene-3-carboxamide
SMILESCC1(NC(=O)c2ccsc2)COC1
InChIInChI=1S/C9H11NO2S/c1-9(5-12-6-9)10-8(11)7-2-3-13-4-7/h2-4H,5-6H2,1H3,(H,10,11)
InChIKeyCSAFMBZXLIWCBG-UHFFFAOYSA-N
XLogP1.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
N-(2-hydroxy-2-methylpropyl)thiophene-3-carboxamide
CID 65110228
N-[(3S,4R)-4-(thiophene-3-carbonylamino)oxolan-3-yl]thiophene-3-carboxamide
CID 138021648
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]thiophene-3-carboxamide
CID 65118946
N-[1-(hydroxymethyl)cyclohexyl]thiophene-3-carboxamide
CID 62520743
N-[2-ethyl-2-(hydroxymethyl)butyl]thiophene-3-carboxamide
CID 103843618
N-[3-[[4-(hydroxymethyl)oxan-4-yl]amino]-3-oxopropyl]thiophene-3-carboxamide
CID 104630584
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide
CID 107301506
N-(3-chloro-2,2-dimethylpropyl)thiophene-3-carboxamide
CID 115364717
2-methyl-2-(thiophene-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 120545135
N-[1-(chloromethyl)cyclopentyl]thiophene-3-carboxamide
CID 114300617
N-(1-cyanocycloheptyl)thiophene-3-carboxamide
CID 54904351

Frequently Asked Questions

What is the IUPAC name of N-(3-methyloxetan-3-yl)thiophene-3-carboxamide?
The IUPAC name of N-(3-methyloxetan-3-yl)thiophene-3-carboxamide (CID 144942729) is N-(3-methyloxetan-3-yl)thiophene-3-carboxamide.
What is the SMILES notation for N-(3-methyloxetan-3-yl)thiophene-3-carboxamide?
The canonical SMILES for N-(3-methyloxetan-3-yl)thiophene-3-carboxamide is CC1(NC(=O)c2ccsc2)COC1.
What is the InChIKey of N-(3-methyloxetan-3-yl)thiophene-3-carboxamide?
The InChIKey is CSAFMBZXLIWCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-9(5-12-6-9)10-8(11)7-2-3-13-4-7/h2-4H,5-6H2,1H3,(H,10,11).
What are the key properties of N-(3-methyloxetan-3-yl)thiophene-3-carboxamide?
N-(3-methyloxetan-3-yl)thiophene-3-carboxamide has a molecular weight of 197.26 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyloxetan-3-yl)thiophene-3-carboxamide is sourced from PubChem (CID 144942729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).