6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine

C12H16N2O3S — CID 82098760

IUPAC6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESO=S(=O)(c1ccc2c(c1)NCCO2)N1CCCC1
InChIInChI=1S/C12H16N2O3S/c15-18(16,14-6-1-2-7-14)10-3-4-12-11(9-10)13-5-8-17-12/h3-4,9,13H,1-2,5-8H2
InChIKeySACIPZAXDGSYMN-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.28
Rot. Bonds2

About 6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine

6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 82098760) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID82098760
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESO=S(=O)(c1ccc2c(c1)NCCO2)N1CCCC1
InChIInChI=1S/C12H16N2O3S/c15-18(16,14-6-1-2-7-14)10-3-4-12-11(9-10)13-5-8-17-12/h3-4,9,13H,1-2,5-8H2
InChIKeySACIPZAXDGSYMN-UHFFFAOYSA-N
XLogP1.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(benzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 58641530
6-(azepan-1-ylsulfonyl)-4H-1,4-benzoxazin-3-one
CID 22548236
1-[5-(3,4-dihydro-2H-1,4-benzoxazin-6-ylsulfonyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-2-hydroxy-2-methylpropan-1-one
CID 137488697
2-methyl-6-piperidin-1-ylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine
CID 82098781
6-piperidin-1-ylsulfonyl-1,2,3,4-tetrahydroquinoline
CID 7064078
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1,4-diazepane
CID 43362279
1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-1,4-diazepane
CID 98781188
N-methyl-N-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 82098762
1,4-bis(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-1,4-diazepane
CID 55511916
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine;hydrochloride
CID 2758366
4-methyl-7-piperidin-1-ylsulfonyl-2,3-dihydro-1,4-benzoxazine
CID 141196357
[5-(3,4-dihydro-2H-1,4-benzoxazin-6-ylsulfonyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-(2-hydroxy-1-phenylcyclopropyl)methanone
CID 163906465

Frequently Asked Questions

What is the IUPAC name of 6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine (CID 82098760) is 6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine is O=S(=O)(c1ccc2c(c1)NCCO2)N1CCCC1.
What is the InChIKey of 6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is SACIPZAXDGSYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c15-18(16,14-6-1-2-7-14)10-3-4-12-11(9-10)13-5-8-17-12/h3-4,9,13H,1-2,5-8H2.
What are the key properties of 6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine?
6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 268.34 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 82098760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).