N-methyl-N-(1-methylsulfanylpropan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

C14H20N2O2S — CID 112659382

IUPACN-methyl-N-(1-methylsulfanylpropan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESCSCC(C)N(C)C(=O)C1CNc2ccccc2O1
InChIInChI=1S/C14H20N2O2S/c1-10(9-19-3)16(2)14(17)13-8-15-11-6-4-5-7-12(11)18-13/h4-7,10,13,15H,8-9H2,1-3H3
InChIKeyWKCFUQGVNPPIHM-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.07
Rot. Bonds4

About N-methyl-N-(1-methylsulfanylpropan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

N-methyl-N-(1-methylsulfanylpropan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (PubChem CID 112659382) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-methyl-N-(1-methylsulfanylpropan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylsulfanylpropan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
PubChem CID112659382
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-methyl-N-(1-methylsulfanylpropan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESCSCC(C)N(C)C(=O)C1CNc2ccccc2O1
InChIInChI=1S/C14H20N2O2S/c1-10(9-19-3)16(2)14(17)13-8-15-11-6-4-5-7-12(11)18-13/h4-7,10,13,15H,8-9H2,1-3H3
InChIKeyWKCFUQGVNPPIHM-UHFFFAOYSA-N
XLogP2.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylsulfanylpropan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The IUPAC name of N-methyl-N-(1-methylsulfanylpropan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (CID 112659382) is N-methyl-N-(1-methylsulfanylpropan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for N-methyl-N-(1-methylsulfanylpropan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for N-methyl-N-(1-methylsulfanylpropan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is CSCC(C)N(C)C(=O)C1CNc2ccccc2O1.
What is the InChIKey of N-methyl-N-(1-methylsulfanylpropan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The InChIKey is WKCFUQGVNPPIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-10(9-19-3)16(2)14(17)13-8-15-11-6-4-5-7-12(11)18-13/h4-7,10,13,15H,8-9H2,1-3H3.
What are the key properties of N-methyl-N-(1-methylsulfanylpropan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
N-methyl-N-(1-methylsulfanylpropan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide has a molecular weight of 280.39 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylsulfanylpropan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 112659382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).