N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C20H26N4O2S — CID 122356712

IUPACN-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCc1nc(N2CCCC2)nc(C)c1NS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C20H26N4O2S/c1-14-19(15(2)22-20(21-14)24-11-5-6-12-24)23-27(25,26)18-10-9-16-7-3-4-8-17(16)13-18/h9-10,13,23H,3-8,11-12H2,1-2H3
InChIKeyZRKSGOJBABYQMB-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.37
Rot. Bonds4

About N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 122356712) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID122356712
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC NameN-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCc1nc(N2CCCC2)nc(C)c1NS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C20H26N4O2S/c1-14-19(15(2)22-20(21-14)24-11-5-6-12-24)23-27(25,26)18-10-9-16-7-3-4-8-17(16)13-18/h9-10,13,23H,3-8,11-12H2,1-2H3
InChIKeyZRKSGOJBABYQMB-UHFFFAOYSA-N
XLogP3.37
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 122356729
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)naphthalene-2-sulfonamide
CID 122356520
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 71807329
N-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 17426352
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 91968636
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 122317958
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-fluoro-4-methoxybenzenesulfonamide
CID 122356980
N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16890531
N-(2-methylimidazo[1,2-a]pyridin-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110734864
2-pyrrolidin-1-yl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)pyridine-3-carboxylic acid
CID 53004776
N-(4,5-dimethyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 115750894
N-[3-(4-pyrrolidin-1-ylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16890929

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 122356712) is N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is Cc1nc(N2CCCC2)nc(C)c1NS(=O)(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is ZRKSGOJBABYQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-14-19(15(2)22-20(21-14)24-11-5-6-12-24)23-27(25,26)18-10-9-16-7-3-4-8-17(16)13-18/h9-10,13,23H,3-8,11-12H2,1-2H3.
What are the key properties of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 386.52 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 122356712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).