(2R)-N,N-dimethyl-2-[(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]propanamide

C14H20N2O4S — CID 124623677

IUPAC(2R)-N,N-dimethyl-2-[(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]propanamide
SMILESCc1ccc2c(c1)OCCN2S(=O)(=O)[C@H](C)C(=O)N(C)C
InChIInChI=1S/C14H20N2O4S/c1-10-5-6-12-13(9-10)20-8-7-16(12)21(18,19)11(2)14(17)15(3)4/h5-6,9,11H,7-8H2,1-4H3/t11-/m1/s1
InChIKeyPNOFNKHDZBVLKZ-LLVKDONJSA-N
MW312.39 g/mol
LogP1.00
Rot. Bonds3

About (2R)-N,N-dimethyl-2-[(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]propanamide

(2R)-N,N-dimethyl-2-[(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]propanamide (PubChem CID 124623677) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is (2R)-N,N-dimethyl-2-[(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]propanamide.

Molecular Properties

Compound Name(2R)-N,N-dimethyl-2-[(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]propanamide
PubChem CID124623677
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name(2R)-N,N-dimethyl-2-[(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]propanamide
SMILESCc1ccc2c(c1)OCCN2S(=O)(=O)[C@H](C)C(=O)N(C)C
InChIInChI=1S/C14H20N2O4S/c1-10-5-6-12-13(9-10)20-8-7-16(12)21(18,19)11(2)14(17)15(3)4/h5-6,9,11H,7-8H2,1-4H3/t11-/m1/s1
InChIKeyPNOFNKHDZBVLKZ-LLVKDONJSA-N
XLogP1.00
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-dimethyl-2-[(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]propanamide?
The IUPAC name of (2R)-N,N-dimethyl-2-[(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]propanamide (CID 124623677) is (2R)-N,N-dimethyl-2-[(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]propanamide.
What is the SMILES notation for (2R)-N,N-dimethyl-2-[(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]propanamide?
The canonical SMILES for (2R)-N,N-dimethyl-2-[(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]propanamide is Cc1ccc2c(c1)OCCN2S(=O)(=O)[C@H](C)C(=O)N(C)C.
What is the InChIKey of (2R)-N,N-dimethyl-2-[(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]propanamide?
The InChIKey is PNOFNKHDZBVLKZ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-10-5-6-12-13(9-10)20-8-7-16(12)21(18,19)11(2)14(17)15(3)4/h5-6,9,11H,7-8H2,1-4H3/t11-/m1/s1.
What are the key properties of (2R)-N,N-dimethyl-2-[(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]propanamide?
(2R)-N,N-dimethyl-2-[(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]propanamide has a molecular weight of 312.39 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-dimethyl-2-[(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]propanamide is sourced from PubChem (CID 124623677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).