(1R)-N,N-dimethyl-1-[(2R)-5-oxooxolan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide

C15H20N2O4S — CID 10829834

IUPAC(1R)-N,N-dimethyl-1-[(2R)-5-oxooxolan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCc2ccccc2[C@@H]1[C@H]1CCC(=O)O1
InChIInChI=1S/C15H20N2O4S/c1-16(2)22(19,20)17-10-9-11-5-3-4-6-12(11)15(17)13-7-8-14(18)21-13/h3-6,13,15H,7-10H2,1-2H3/t13-,15-/m1/s1
InChIKeyLBQLPXVMJJRSMU-UKRRQHHQSA-N
MW324.40 g/mol
LogP1.10
Rot. Bonds3

About (1R)-N,N-dimethyl-1-[(2R)-5-oxooxolan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide

(1R)-N,N-dimethyl-1-[(2R)-5-oxooxolan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide (PubChem CID 10829834) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is (1R)-N,N-dimethyl-1-[(2R)-5-oxooxolan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide.

Molecular Properties

Compound Name(1R)-N,N-dimethyl-1-[(2R)-5-oxooxolan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
PubChem CID10829834
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name(1R)-N,N-dimethyl-1-[(2R)-5-oxooxolan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCc2ccccc2[C@@H]1[C@H]1CCC(=O)O1
InChIInChI=1S/C15H20N2O4S/c1-16(2)22(19,20)17-10-9-11-5-3-4-6-12(11)15(17)13-7-8-14(18)21-13/h3-6,13,15H,7-10H2,1-2H3/t13-,15-/m1/s1
InChIKeyLBQLPXVMJJRSMU-UKRRQHHQSA-N
XLogP1.10
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-N,N-dimethyl-1-[(2R)-5-oxooxolan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The IUPAC name of (1R)-N,N-dimethyl-1-[(2R)-5-oxooxolan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide (CID 10829834) is (1R)-N,N-dimethyl-1-[(2R)-5-oxooxolan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide.
What is the SMILES notation for (1R)-N,N-dimethyl-1-[(2R)-5-oxooxolan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The canonical SMILES for (1R)-N,N-dimethyl-1-[(2R)-5-oxooxolan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide is CN(C)S(=O)(=O)N1CCc2ccccc2[C@@H]1[C@H]1CCC(=O)O1.
What is the InChIKey of (1R)-N,N-dimethyl-1-[(2R)-5-oxooxolan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The InChIKey is LBQLPXVMJJRSMU-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-16(2)22(19,20)17-10-9-11-5-3-4-6-12(11)15(17)13-7-8-14(18)21-13/h3-6,13,15H,7-10H2,1-2H3/t13-,15-/m1/s1.
What are the key properties of (1R)-N,N-dimethyl-1-[(2R)-5-oxooxolan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
(1R)-N,N-dimethyl-1-[(2R)-5-oxooxolan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide has a molecular weight of 324.40 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N,N-dimethyl-1-[(2R)-5-oxooxolan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide is sourced from PubChem (CID 10829834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).