6-methyl-2,4-dioxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyrimidine-5-sulfonamide

C15H17N3O4S — CID 28561014

IUPAC6-methyl-2,4-dioxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyrimidine-5-sulfonamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C15H17N3O4S/c1-9-13(14(19)17-15(20)16-9)23(21,22)18-12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,12,18H,4,6,8H2,1H3,(H2,16,17,19,20)/t12-/m0/s1
InChIKeyAEUYABAFLHFMNG-LBPRGKRZSA-N
MW335.39 g/mol
LogP0.73
Rot. Bonds3

About 6-methyl-2,4-dioxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyrimidine-5-sulfonamide

6-methyl-2,4-dioxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyrimidine-5-sulfonamide (PubChem CID 28561014) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is 6-methyl-2,4-dioxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name6-methyl-2,4-dioxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyrimidine-5-sulfonamide
PubChem CID28561014
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Name6-methyl-2,4-dioxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyrimidine-5-sulfonamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C15H17N3O4S/c1-9-13(14(19)17-15(20)16-9)23(21,22)18-12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,12,18H,4,6,8H2,1H3,(H2,16,17,19,20)/t12-/m0/s1
InChIKeyAEUYABAFLHFMNG-LBPRGKRZSA-N
XLogP0.73
TPSA111.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,3-thiazole-5-sulfonamide
CID 60724039
N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 4650012
2-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8777909
1-(sulfamoylamino)-1,2,3,4-tetrahydronaphthalene
CID 45117542
N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methanesulfonamide
CID 71934404
sodium N-(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamate
CID 67463776
N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide
CID 17388085
5-(6-oxo-1H-pyridazin-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide
CID 20923057
2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 3325789
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-5-sulfonamide
CID 102692407
N-[1-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 167815137
1,1-dioxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thietane-3-sulfonamide
CID 126806493

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,4-dioxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyrimidine-5-sulfonamide?
The IUPAC name of 6-methyl-2,4-dioxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyrimidine-5-sulfonamide (CID 28561014) is 6-methyl-2,4-dioxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for 6-methyl-2,4-dioxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for 6-methyl-2,4-dioxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyrimidine-5-sulfonamide is Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N[C@H]1CCCc2ccccc21.
What is the InChIKey of 6-methyl-2,4-dioxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyrimidine-5-sulfonamide?
The InChIKey is AEUYABAFLHFMNG-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-9-13(14(19)17-15(20)16-9)23(21,22)18-12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,12,18H,4,6,8H2,1H3,(H2,16,17,19,20)/t12-/m0/s1.
What are the key properties of 6-methyl-2,4-dioxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyrimidine-5-sulfonamide?
6-methyl-2,4-dioxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyrimidine-5-sulfonamide has a molecular weight of 335.39 g/mol, XLogP of 0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,4-dioxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 28561014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).