N-[1-(dimethylamino)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide

C14H23N3O2S — CID 82939246

IUPACN-[1-(dimethylamino)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide
SMILESCC(CN(C)C)NS(=O)(=O)c1cccc2c1CCNC2
InChIInChI=1S/C14H23N3O2S/c1-11(10-17(2)3)16-20(18,19)14-6-4-5-12-9-15-8-7-13(12)14/h4-6,11,15-16H,7-10H2,1-3H3
InChIKeyKULAOTWUOVKNQJ-UHFFFAOYSA-N
MW297.42 g/mol
LogP0.56
Rot. Bonds5

About N-[1-(dimethylamino)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide

N-[1-(dimethylamino)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide (PubChem CID 82939246) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[1-(dimethylamino)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide
PubChem CID82939246
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-[1-(dimethylamino)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide
SMILESCC(CN(C)C)NS(=O)(=O)c1cccc2c1CCNC2
InChIInChI=1S/C14H23N3O2S/c1-11(10-17(2)3)16-20(18,19)14-6-4-5-12-9-15-8-7-13(12)14/h4-6,11,15-16H,7-10H2,1-3H3
InChIKeyKULAOTWUOVKNQJ-UHFFFAOYSA-N
XLogP0.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide?
The IUPAC name of N-[1-(dimethylamino)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide (CID 82939246) is N-[1-(dimethylamino)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide.
What is the SMILES notation for N-[1-(dimethylamino)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide?
The canonical SMILES for N-[1-(dimethylamino)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide is CC(CN(C)C)NS(=O)(=O)c1cccc2c1CCNC2.
What is the InChIKey of N-[1-(dimethylamino)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide?
The InChIKey is KULAOTWUOVKNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-11(10-17(2)3)16-20(18,19)14-6-4-5-12-9-15-8-7-13(12)14/h4-6,11,15-16H,7-10H2,1-3H3.
What are the key properties of N-[1-(dimethylamino)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide?
N-[1-(dimethylamino)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide has a molecular weight of 297.42 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide is sourced from PubChem (CID 82939246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).