N-methylsulfonyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanesulfonamide

C11H16N2O4S2 — CID 10614474

IUPACN-methylsulfonyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanesulfonamide
SMILESCS(=O)(=O)N(c1ccc2c(c1)CNCC2)S(C)(=O)=O
InChIInChI=1S/C11H16N2O4S2/c1-18(14,15)13(19(2,16)17)11-4-3-9-5-6-12-8-10(9)7-11/h3-4,7,12H,5-6,8H2,1-2H3
InChIKeySGFGDJOGEIILEY-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.06
Rot. Bonds3

About N-methylsulfonyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanesulfonamide

N-methylsulfonyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanesulfonamide (PubChem CID 10614474) has the molecular formula C11H16N2O4S2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-methylsulfonyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanesulfonamide.

Molecular Properties

Compound NameN-methylsulfonyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanesulfonamide
PubChem CID10614474
Molecular FormulaC11H16N2O4S2
Molecular Weight304.39 g/mol
Exact Mass304.06
IUPAC NameN-methylsulfonyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanesulfonamide
SMILESCS(=O)(=O)N(c1ccc2c(c1)CNCC2)S(C)(=O)=O
InChIInChI=1S/C11H16N2O4S2/c1-18(14,15)13(19(2,16)17)11-4-3-9-5-6-12-8-10(9)7-11/h3-4,7,12H,5-6,8H2,1-2H3
InChIKeySGFGDJOGEIILEY-UHFFFAOYSA-N
XLogP0.06
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methylsulfonyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanesulfonamide?
The IUPAC name of N-methylsulfonyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanesulfonamide (CID 10614474) is N-methylsulfonyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanesulfonamide.
What is the SMILES notation for N-methylsulfonyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanesulfonamide?
The canonical SMILES for N-methylsulfonyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanesulfonamide is CS(=O)(=O)N(c1ccc2c(c1)CNCC2)S(C)(=O)=O.
What is the InChIKey of N-methylsulfonyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanesulfonamide?
The InChIKey is SGFGDJOGEIILEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S2/c1-18(14,15)13(19(2,16)17)11-4-3-9-5-6-12-8-10(9)7-11/h3-4,7,12H,5-6,8H2,1-2H3.
What are the key properties of N-methylsulfonyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanesulfonamide?
N-methylsulfonyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanesulfonamide has a molecular weight of 304.39 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanesulfonamide is sourced from PubChem (CID 10614474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).