N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide

C12H17N3O4S — CID 98167034

IUPACN-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C12H17N3O4S/c1-6-10(11(16)14-12(17)13-6)20(18,19)15-9-5-7-2-3-8(9)4-7/h7-9,15H,2-5H2,1H3,(H2,13,14,16,17)/t7-,8-,9+/m1/s1
InChIKeyJZEYETJCWURTQN-HLTSFMKQSA-N
MW299.35 g/mol
LogP-0.16
Rot. Bonds3

About N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide

N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide (PubChem CID 98167034) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
PubChem CID98167034
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC NameN-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C12H17N3O4S/c1-6-10(11(16)14-12(17)13-6)20(18,19)15-9-5-7-2-3-8(9)4-7/h7-9,15H,2-5H2,1H3,(H2,13,14,16,17)/t7-,8-,9+/m1/s1
InChIKeyJZEYETJCWURTQN-HLTSFMKQSA-N
XLogP-0.16
TPSA111.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide with MolForge

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Related Compounds

N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 98167032
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2,4,6-trimethylbenzenesulfonamide
CID 11896359
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 125048908
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylbenzenesulfonamide
CID 11878164
N-tert-butyl-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 3320329
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-fluoro-3-methylbenzenesulfonamide
CID 100693831
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 125054327
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-fluoro-2-methylbenzenesulfonamide
CID 100690195
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-chlorobenzenesulfonamide
CID 50898130
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-chlorobenzenesulfonamide
CID 98084772
N-(2-bicyclo[2.2.1]heptanyl)-4-chlorobenzenesulfonamide
CID 2894402
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 125057999

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The IUPAC name of N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide (CID 98167034) is N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide is Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2.
What is the InChIKey of N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The InChIKey is JZEYETJCWURTQN-HLTSFMKQSA-N. The full InChI is InChI=1S/C12H17N3O4S/c1-6-10(11(16)14-12(17)13-6)20(18,19)15-9-5-7-2-3-8(9)4-7/h7-9,15H,2-5H2,1H3,(H2,13,14,16,17)/t7-,8-,9+/m1/s1.
What are the key properties of N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide has a molecular weight of 299.35 g/mol, XLogP of -0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 98167034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).