N-methyl-N-pyrrolidin-3-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide

C14H21N3O2S — CID 63298216

IUPACN-methyl-N-pyrrolidin-3-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESCN(C1CCNC1)S(=O)(=O)N1CCc2ccccc2C1
InChIInChI=1S/C14H21N3O2S/c1-16(14-6-8-15-10-14)20(18,19)17-9-7-12-4-2-3-5-13(12)11-17/h2-5,14-15H,6-11H2,1H3
InChIKeyLCCBGYVNBKNDTE-UHFFFAOYSA-N
MW295.41 g/mol
LogP0.58
Rot. Bonds3

About N-methyl-N-pyrrolidin-3-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide

N-methyl-N-pyrrolidin-3-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide (PubChem CID 63298216) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-methyl-N-pyrrolidin-3-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-pyrrolidin-3-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
PubChem CID63298216
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-methyl-N-pyrrolidin-3-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESCN(C1CCNC1)S(=O)(=O)N1CCc2ccccc2C1
InChIInChI=1S/C14H21N3O2S/c1-16(14-6-8-15-10-14)20(18,19)17-9-7-12-4-2-3-5-13(12)11-17/h2-5,14-15H,6-11H2,1H3
InChIKeyLCCBGYVNBKNDTE-UHFFFAOYSA-N
XLogP0.58
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pyrrolidin-3-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The IUPAC name of N-methyl-N-pyrrolidin-3-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide (CID 63298216) is N-methyl-N-pyrrolidin-3-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide.
What is the SMILES notation for N-methyl-N-pyrrolidin-3-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The canonical SMILES for N-methyl-N-pyrrolidin-3-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide is CN(C1CCNC1)S(=O)(=O)N1CCc2ccccc2C1.
What is the InChIKey of N-methyl-N-pyrrolidin-3-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The InChIKey is LCCBGYVNBKNDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-16(14-6-8-15-10-14)20(18,19)17-9-7-12-4-2-3-5-13(12)11-17/h2-5,14-15H,6-11H2,1H3.
What are the key properties of N-methyl-N-pyrrolidin-3-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
N-methyl-N-pyrrolidin-3-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide has a molecular weight of 295.41 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pyrrolidin-3-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide is sourced from PubChem (CID 63298216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).