3-cyano-N-[(3-methylthiophen-2-yl)methyl]oxetane-3-carboxamide

C11H12N2O2S — CID 115184750

IUPAC3-cyano-N-[(3-methylthiophen-2-yl)methyl]oxetane-3-carboxamide
SMILESCc1ccsc1CNC(=O)C1(C#N)COC1
InChIInChI=1S/C11H12N2O2S/c1-8-2-3-16-9(8)4-13-10(14)11(5-12)6-15-7-11/h2-3H,4,6-7H2,1H3,(H,13,14)
InChIKeyRZIQCTWAOAXELU-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.21
Rot. Bonds3

About 3-cyano-N-[(3-methylthiophen-2-yl)methyl]oxetane-3-carboxamide

3-cyano-N-[(3-methylthiophen-2-yl)methyl]oxetane-3-carboxamide (PubChem CID 115184750) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 3-cyano-N-[(3-methylthiophen-2-yl)methyl]oxetane-3-carboxamide.

Molecular Properties

Compound Name3-cyano-N-[(3-methylthiophen-2-yl)methyl]oxetane-3-carboxamide
PubChem CID115184750
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name3-cyano-N-[(3-methylthiophen-2-yl)methyl]oxetane-3-carboxamide
SMILESCc1ccsc1CNC(=O)C1(C#N)COC1
InChIInChI=1S/C11H12N2O2S/c1-8-2-3-16-9(8)4-13-10(14)11(5-12)6-15-7-11/h2-3H,4,6-7H2,1H3,(H,13,14)
InChIKeyRZIQCTWAOAXELU-UHFFFAOYSA-N
XLogP1.21
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-3-cyanooxetane-3-carboxamide
CID 115184721
N-[(3-methylthiophen-2-yl)methyl]adamantane-1-carboxamide
CID 32958884
N-[(3-bromothiophen-2-yl)methyl]-1-cyanocyclobutane-1-carboxamide
CID 78994573
3-cyano-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 115173840
1-(4-aminophenyl)-N-[(3-methylthiophen-2-yl)methyl]cyclopropane-1-carboxamide
CID 115913836
ethyl 2-[(3-methylthiophen-2-yl)methylcarbamoylamino]acetate
CID 112730433
1-[(4-methylsulfanyloxan-4-yl)methyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 71869947
1,1-dimethyl-3-[(3-methylthiophen-2-yl)methyl]urea
CID 115579180
2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 112725782
2,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide
CID 32986981
3-bromo-N-[(3-methylthiophen-2-yl)methyl]adamantane-1-carboxamide
CID 134056530
2-amino-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide;hydrochloride
CID 119280432

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(3-methylthiophen-2-yl)methyl]oxetane-3-carboxamide?
The IUPAC name of 3-cyano-N-[(3-methylthiophen-2-yl)methyl]oxetane-3-carboxamide (CID 115184750) is 3-cyano-N-[(3-methylthiophen-2-yl)methyl]oxetane-3-carboxamide.
What is the SMILES notation for 3-cyano-N-[(3-methylthiophen-2-yl)methyl]oxetane-3-carboxamide?
The canonical SMILES for 3-cyano-N-[(3-methylthiophen-2-yl)methyl]oxetane-3-carboxamide is Cc1ccsc1CNC(=O)C1(C#N)COC1.
What is the InChIKey of 3-cyano-N-[(3-methylthiophen-2-yl)methyl]oxetane-3-carboxamide?
The InChIKey is RZIQCTWAOAXELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-8-2-3-16-9(8)4-13-10(14)11(5-12)6-15-7-11/h2-3H,4,6-7H2,1H3,(H,13,14).
What are the key properties of 3-cyano-N-[(3-methylthiophen-2-yl)methyl]oxetane-3-carboxamide?
3-cyano-N-[(3-methylthiophen-2-yl)methyl]oxetane-3-carboxamide has a molecular weight of 236.30 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(3-methylthiophen-2-yl)methyl]oxetane-3-carboxamide is sourced from PubChem (CID 115184750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).