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

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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).