N-methyl-N-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

C15H23N3O3S — CID 82098762

IUPACN-methyl-N-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
SMILESCN1CCC(N(C)S(=O)(=O)c2ccc3c(c2)NCCO3)CC1
InChIInChI=1S/C15H23N3O3S/c1-17-8-5-12(6-9-17)18(2)22(19,20)13-3-4-15-14(11-13)16-7-10-21-15/h3-4,11-12,16H,5-10H2,1-2H3
InChIKeyXRJUDDQLFZTTMW-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.21
Rot. Bonds3

About N-methyl-N-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

N-methyl-N-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide (PubChem CID 82098762) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
PubChem CID82098762
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-methyl-N-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
SMILESCN1CCC(N(C)S(=O)(=O)c2ccc3c(c2)NCCO3)CC1
InChIInChI=1S/C15H23N3O3S/c1-17-8-5-12(6-9-17)18(2)22(19,20)13-3-4-15-14(11-13)16-7-10-21-15/h3-4,11-12,16H,5-10H2,1-2H3
InChIKeyXRJUDDQLFZTTMW-UHFFFAOYSA-N
XLogP1.21
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide 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

N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2470338
6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine
CID 82098760
4-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 60639726
N-cyclohexyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2142659
6-(benzenesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 58641530
N-cyclopentyl-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 43267403
3-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 57395160
N-cycloheptyl-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 43614367
N-methyl-N-(1-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide
CID 57398674
4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 715058
4-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 57393432
N-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 4986715

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide?
The IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide (CID 82098762) is N-methyl-N-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide is CN1CCC(N(C)S(=O)(=O)c2ccc3c(c2)NCCO3)CC1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide?
The InChIKey is XRJUDDQLFZTTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-17-8-5-12(6-9-17)18(2)22(19,20)13-3-4-15-14(11-13)16-7-10-21-15/h3-4,11-12,16H,5-10H2,1-2H3.
What are the key properties of N-methyl-N-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide?
N-methyl-N-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide has a molecular weight of 325.43 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide is sourced from PubChem (CID 82098762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).