5-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)oxolane-2-carboxamide

C10H20N2O2S — CID 112658871

IUPAC5-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)oxolane-2-carboxamide
SMILESCSCCN(C)C(=O)C1CCC(CN)O1
InChIInChI=1S/C10H20N2O2S/c1-12(5-6-15-2)10(13)9-4-3-8(7-11)14-9/h8-9H,3-7,11H2,1-2H3
InChIKeyIANGWERNPHVFNK-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.31
Rot. Bonds5

About 5-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)oxolane-2-carboxamide

5-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)oxolane-2-carboxamide (PubChem CID 112658871) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 5-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)oxolane-2-carboxamide
PubChem CID112658871
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name5-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)oxolane-2-carboxamide
SMILESCSCCN(C)C(=O)C1CCC(CN)O1
InChIInChI=1S/C10H20N2O2S/c1-12(5-6-15-2)10(13)9-4-3-8(7-11)14-9/h8-9H,3-7,11H2,1-2H3
InChIKeyIANGWERNPHVFNK-UHFFFAOYSA-N
XLogP0.31
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,5R)-5-(aminomethyl)-N,N-dimethyloxolane-2-carboxamide
CID 97050721
(2S,5R)-5-(aminomethyl)-N-(2-cyclohexylethyl)-N-methyloxolane-2-carboxamide;hydrochloride
CID 120791383
(2S,5R)-5-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyloxolane-2-carboxamide;hydrochloride
CID 120784111
(2S,5R)-5-(aminomethyl)-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]oxolane-2-carboxamide
CID 120801102
(2S,5R)-5-(aminomethyl)-N-cycloheptyl-N-methyloxolane-2-carboxamide
CID 120784974
5-(aminomethyl)-N-(1-hydroxypropan-2-yl)-N-methyloxolane-2-carboxamide
CID 104551738
2-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide
CID 112659001
(2S,5R)-5-(aminomethyl)-N-methyl-N-(oxolan-3-yl)oxolane-2-carboxamide;hydrochloride
CID 120792261
(2S,5R)-5-(aminomethyl)-N-methyl-N-[(4-methylsulfonylphenyl)methyl]oxolane-2-carboxamide
CID 120794534
(2S,5R)-5-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyloxolane-2-carboxamide;dihydrochloride
CID 120800269
(2S,5R)-5-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-methyloxolane-2-carboxamide
CID 120783700
(2S,5R)-5-(aminomethyl)-N-methyl-N-(2-phenylpropyl)oxolane-2-carboxamide;hydrochloride
CID 120791903

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)oxolane-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)oxolane-2-carboxamide (CID 112658871) is 5-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)oxolane-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)oxolane-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)oxolane-2-carboxamide is CSCCN(C)C(=O)C1CCC(CN)O1.
What is the InChIKey of 5-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)oxolane-2-carboxamide?
The InChIKey is IANGWERNPHVFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-12(5-6-15-2)10(13)9-4-3-8(7-11)14-9/h8-9H,3-7,11H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)oxolane-2-carboxamide?
5-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)oxolane-2-carboxamide has a molecular weight of 232.35 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)oxolane-2-carboxamide is sourced from PubChem (CID 112658871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).