1-cyclopropyl-N-[[1-(1-pyridin-2-ylcyclobutyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl]methanesulfonamide

C23H29N3O2S — CID 66868757

IUPAC1-cyclopropyl-N-[[1-(1-pyridin-2-ylcyclobutyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl]methanesulfonamide
SMILESO=S(=O)(CC1CC1)NCc1ccc2c(c1)C(C1(c3ccccn3)CCC1)NCC2
InChIInChI=1S/C23H29N3O2S/c27-29(28,16-17-5-6-17)26-15-18-7-8-19-9-13-25-22(20(19)14-18)23(10-3-11-23)21-4-1-2-12-24-21/h1-2,4,7-8,12,14,17,22,25-26H,3,5-6,9-11,13,15-16H2
InChIKeyRHGKGHYIZTUCIL-UHFFFAOYSA-N
MW411.57 g/mol
LogP3.22
Rot. Bonds7

About 1-cyclopropyl-N-[[1-(1-pyridin-2-ylcyclobutyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl]methanesulfonamide

1-cyclopropyl-N-[[1-(1-pyridin-2-ylcyclobutyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl]methanesulfonamide (PubChem CID 66868757) has the molecular formula C23H29N3O2S and a molecular weight of 411.57 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[1-(1-pyridin-2-ylcyclobutyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[[1-(1-pyridin-2-ylcyclobutyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl]methanesulfonamide
PubChem CID66868757
Molecular FormulaC23H29N3O2S
Molecular Weight411.57 g/mol
Exact Mass411.20
IUPAC Name1-cyclopropyl-N-[[1-(1-pyridin-2-ylcyclobutyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl]methanesulfonamide
SMILESO=S(=O)(CC1CC1)NCc1ccc2c(c1)C(C1(c3ccccn3)CCC1)NCC2
InChIInChI=1S/C23H29N3O2S/c27-29(28,16-17-5-6-17)26-15-18-7-8-19-9-13-25-22(20(19)14-18)23(10-3-11-23)21-4-1-2-12-24-21/h1-2,4,7-8,12,14,17,22,25-26H,3,5-6,9-11,13,15-16H2
InChIKeyRHGKGHYIZTUCIL-UHFFFAOYSA-N
XLogP3.22
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[1-(1-pyridin-2-ylcyclobutyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl]methanesulfonamide?
The IUPAC name of 1-cyclopropyl-N-[[1-(1-pyridin-2-ylcyclobutyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl]methanesulfonamide (CID 66868757) is 1-cyclopropyl-N-[[1-(1-pyridin-2-ylcyclobutyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-cyclopropyl-N-[[1-(1-pyridin-2-ylcyclobutyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-cyclopropyl-N-[[1-(1-pyridin-2-ylcyclobutyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl]methanesulfonamide is O=S(=O)(CC1CC1)NCc1ccc2c(c1)C(C1(c3ccccn3)CCC1)NCC2.
What is the InChIKey of 1-cyclopropyl-N-[[1-(1-pyridin-2-ylcyclobutyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl]methanesulfonamide?
The InChIKey is RHGKGHYIZTUCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2S/c27-29(28,16-17-5-6-17)26-15-18-7-8-19-9-13-25-22(20(19)14-18)23(10-3-11-23)21-4-1-2-12-24-21/h1-2,4,7-8,12,14,17,22,25-26H,3,5-6,9-11,13,15-16H2.
What are the key properties of 1-cyclopropyl-N-[[1-(1-pyridin-2-ylcyclobutyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl]methanesulfonamide?
1-cyclopropyl-N-[[1-(1-pyridin-2-ylcyclobutyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl]methanesulfonamide has a molecular weight of 411.57 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[1-(1-pyridin-2-ylcyclobutyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl]methanesulfonamide is sourced from PubChem (CID 66868757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).