4-amino-N,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]oxolane-3-carboxamide

C15H22N2O2S — CID 66249851

IUPAC4-amino-N,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]oxolane-3-carboxamide
SMILESCSc1ccc(CN(C)C(=O)C2(C)COCC2N)cc1
InChIInChI=1S/C15H22N2O2S/c1-15(10-19-9-13(15)16)14(18)17(2)8-11-4-6-12(20-3)7-5-11/h4-7,13H,8-10,16H2,1-3H3
InChIKeyFWDBBDLTULZOSW-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.73
Rot. Bonds4

About 4-amino-N,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]oxolane-3-carboxamide

4-amino-N,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]oxolane-3-carboxamide (PubChem CID 66249851) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-amino-N,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]oxolane-3-carboxamide
PubChem CID66249851
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name4-amino-N,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]oxolane-3-carboxamide
SMILESCSc1ccc(CN(C)C(=O)C2(C)COCC2N)cc1
InChIInChI=1S/C15H22N2O2S/c1-15(10-19-9-13(15)16)14(18)17(2)8-11-4-6-12(20-3)7-5-11/h4-7,13H,8-10,16H2,1-3H3
InChIKeyFWDBBDLTULZOSW-UHFFFAOYSA-N
XLogP1.73
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclobutane-1-carboxamide
CID 81171712
4-amino-N-benzyl-N-(2-hydroxyethyl)-3-methyloxolane-3-carboxamide
CID 66250442
(4-amino-3-methyloxolan-3-yl)-(4-ethylphenyl)methanone
CID 116563259
4-amino-N-[2-(ethylamino)-2-oxoethyl]-N,3-dimethyloxolane-3-carboxamide
CID 66249276
4-amino-N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethyloxolane-3-carboxamide
CID 66248870
methyl 2-[(4-amino-3-methyloxolane-3-carbonyl)-methylamino]acetate
CID 66250642
N-methyl-N-[(4-methylsulfanylphenyl)methyl]carbamoyl bromide
CID 115193789
4-amino-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethyloxolane-3-carboxamide
CID 66250253
4-amino-N-[(3-hydroxycyclobutyl)methyl]-N,3-dimethyloxolane-3-carboxamide
CID 66263908
1-(4-fluorophenyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclopropane-1-carboxamide
CID 134002240
(3S)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2715568
3-amino-1-methyl-1-[(4-methylsulfanylphenyl)methyl]urea
CID 115192806

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]oxolane-3-carboxamide (CID 66249851) is 4-amino-N,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]oxolane-3-carboxamide is CSc1ccc(CN(C)C(=O)C2(C)COCC2N)cc1.
What is the InChIKey of 4-amino-N,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]oxolane-3-carboxamide?
The InChIKey is FWDBBDLTULZOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-15(10-19-9-13(15)16)14(18)17(2)8-11-4-6-12(20-3)7-5-11/h4-7,13H,8-10,16H2,1-3H3.
What are the key properties of 4-amino-N,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]oxolane-3-carboxamide?
4-amino-N,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]oxolane-3-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 66249851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).