N-[1-[4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanoyl]piperidin-4-yl]-N-methylmethanesulfonamide

C19H27N3O4S2 — CID 56565021

IUPACN-[1-[4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanoyl]piperidin-4-yl]-N-methylmethanesulfonamide
SMILESCN(C1CCN(C(=O)CCC(=O)N2CCSc3ccccc32)CC1)S(C)(=O)=O
InChIInChI=1S/C19H27N3O4S2/c1-20(28(2,25)26)15-9-11-21(12-10-15)18(23)7-8-19(24)22-13-14-27-17-6-4-3-5-16(17)22/h3-6,15H,7-14H2,1-2H3
InChIKeySULHLKWZCCQKOV-UHFFFAOYSA-N
MW425.58 g/mol
LogP1.79
Rot. Bonds5

About N-[1-[4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanoyl]piperidin-4-yl]-N-methylmethanesulfonamide

N-[1-[4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanoyl]piperidin-4-yl]-N-methylmethanesulfonamide (PubChem CID 56565021) has the molecular formula C19H27N3O4S2 and a molecular weight of 425.58 g/mol. Its IUPAC name is N-[1-[4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanoyl]piperidin-4-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-[4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanoyl]piperidin-4-yl]-N-methylmethanesulfonamide
PubChem CID56565021
Molecular FormulaC19H27N3O4S2
Molecular Weight425.58 g/mol
Exact Mass425.14
IUPAC NameN-[1-[4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanoyl]piperidin-4-yl]-N-methylmethanesulfonamide
SMILESCN(C1CCN(C(=O)CCC(=O)N2CCSc3ccccc32)CC1)S(C)(=O)=O
InChIInChI=1S/C19H27N3O4S2/c1-20(28(2,25)26)15-9-11-21(12-10-15)18(23)7-8-19(24)22-13-14-27-17-6-4-3-5-16(17)22/h3-6,15H,7-14H2,1-2H3
InChIKeySULHLKWZCCQKOV-UHFFFAOYSA-N
XLogP1.79
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanoyl]piperidin-4-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[1-[4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanoyl]piperidin-4-yl]-N-methylmethanesulfonamide (CID 56565021) is N-[1-[4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanoyl]piperidin-4-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[1-[4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanoyl]piperidin-4-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[1-[4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanoyl]piperidin-4-yl]-N-methylmethanesulfonamide is CN(C1CCN(C(=O)CCC(=O)N2CCSc3ccccc32)CC1)S(C)(=O)=O.
What is the InChIKey of N-[1-[4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanoyl]piperidin-4-yl]-N-methylmethanesulfonamide?
The InChIKey is SULHLKWZCCQKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S2/c1-20(28(2,25)26)15-9-11-21(12-10-15)18(23)7-8-19(24)22-13-14-27-17-6-4-3-5-16(17)22/h3-6,15H,7-14H2,1-2H3.
What are the key properties of N-[1-[4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanoyl]piperidin-4-yl]-N-methylmethanesulfonamide?
N-[1-[4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanoyl]piperidin-4-yl]-N-methylmethanesulfonamide has a molecular weight of 425.58 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanoyl]piperidin-4-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 56565021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).