6-methoxy-4-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzoxazine

C14H20N2O4S — CID 139004725

IUPAC6-methoxy-4-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzoxazine
SMILESCOc1ccc2c(c1)N(S(=O)(=O)N1CCCCC1)CCO2
InChIInChI=1S/C14H20N2O4S/c1-19-12-5-6-14-13(11-12)16(9-10-20-14)21(17,18)15-7-3-2-4-8-15/h5-6,11H,2-4,7-10H2,1H3
InChIKeyKRLLVHALUTZHEZ-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.62
Rot. Bonds3

About 6-methoxy-4-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzoxazine

6-methoxy-4-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzoxazine (PubChem CID 139004725) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 6-methoxy-4-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name6-methoxy-4-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzoxazine
PubChem CID139004725
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name6-methoxy-4-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzoxazine
SMILESCOc1ccc2c(c1)N(S(=O)(=O)N1CCCCC1)CCO2
InChIInChI=1S/C14H20N2O4S/c1-19-12-5-6-14-13(11-12)16(9-10-20-14)21(17,18)15-7-3-2-4-8-15/h5-6,11H,2-4,7-10H2,1H3
InChIKeyKRLLVHALUTZHEZ-UHFFFAOYSA-N
XLogP1.62
TPSA59.08 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 ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(4-methoxyphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl]benzonitrile
CID 52934704
4-(3-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 110865728
2-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine
CID 83754217
1-[2-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]pyrrolidin-2-one
CID 170557199
4-(4-fluoro-3-methoxyphenyl)sulfonyl-6-(3-methoxyphenyl)-2,3-dihydro-1,4-benzoxazine
CID 145207689
1-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol
CID 117236081
4-(2,4-dichlorophenyl)-6-methoxy-2,3-dihydro-1,4-benzoxazine
CID 67059916
N-(2-amino-5-methoxyphenyl)piperidine-1-sulfonamide
CID 63258793
3-(4-methoxyphenyl)-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide
CID 110412908
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-methoxy-2,3-dihydroindole
CID 56800307
4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-6-methyl-2,3-dihydro-1,4-benzoxazine
CID 110412114
4-(4,5-dimethoxy-2-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 39329827

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 6-methoxy-4-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzoxazine (CID 139004725) is 6-methoxy-4-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 6-methoxy-4-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 6-methoxy-4-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzoxazine is COc1ccc2c(c1)N(S(=O)(=O)N1CCCCC1)CCO2.
What is the InChIKey of 6-methoxy-4-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is KRLLVHALUTZHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-19-12-5-6-14-13(11-12)16(9-10-20-14)21(17,18)15-7-3-2-4-8-15/h5-6,11H,2-4,7-10H2,1H3.
What are the key properties of 6-methoxy-4-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzoxazine?
6-methoxy-4-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 312.39 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 139004725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).