1-methyl-N-[(1S)-1-methylcyclohex-3-en-1-yl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide

C15H18N4O4S — CID 164634891

IUPAC1-methyl-N-[(1S)-1-methylcyclohex-3-en-1-yl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide
SMILESCn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N[C@]3(C)CC=CCC3)cnc21
InChIInChI=1S/C15H18N4O4S/c1-15(6-4-3-5-7-15)18-24(22,23)10-8-11-12(16-9-10)19(2)14(21)17-13(11)20/h3-4,8-9,18H,5-7H2,1-2H3,(H,17,20,21)/t15-/m1/s1
InChIKeyRKVBVHVXYUJZDV-OAHLLOKOSA-N
MW350.40 g/mol
LogP0.40
Rot. Bonds3

About 1-methyl-N-[(1S)-1-methylcyclohex-3-en-1-yl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide

1-methyl-N-[(1S)-1-methylcyclohex-3-en-1-yl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide (PubChem CID 164634891) has the molecular formula C15H18N4O4S and a molecular weight of 350.40 g/mol. Its IUPAC name is 1-methyl-N-[(1S)-1-methylcyclohex-3-en-1-yl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[(1S)-1-methylcyclohex-3-en-1-yl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide
PubChem CID164634891
Molecular FormulaC15H18N4O4S
Molecular Weight350.40 g/mol
Exact Mass350.10
IUPAC Name1-methyl-N-[(1S)-1-methylcyclohex-3-en-1-yl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide
SMILESCn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N[C@]3(C)CC=CCC3)cnc21
InChIInChI=1S/C15H18N4O4S/c1-15(6-4-3-5-7-15)18-24(22,23)10-8-11-12(16-9-10)19(2)14(21)17-13(11)20/h3-4,8-9,18H,5-7H2,1-2H3,(H,17,20,21)/t15-/m1/s1
InChIKeyRKVBVHVXYUJZDV-OAHLLOKOSA-N
XLogP0.40
TPSA113.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1S)-1-methylcyclohex-3-en-1-yl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide?
The IUPAC name of 1-methyl-N-[(1S)-1-methylcyclohex-3-en-1-yl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide (CID 164634891) is 1-methyl-N-[(1S)-1-methylcyclohex-3-en-1-yl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide.
What is the SMILES notation for 1-methyl-N-[(1S)-1-methylcyclohex-3-en-1-yl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide?
The canonical SMILES for 1-methyl-N-[(1S)-1-methylcyclohex-3-en-1-yl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide is Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N[C@]3(C)CC=CCC3)cnc21.
What is the InChIKey of 1-methyl-N-[(1S)-1-methylcyclohex-3-en-1-yl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide?
The InChIKey is RKVBVHVXYUJZDV-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H18N4O4S/c1-15(6-4-3-5-7-15)18-24(22,23)10-8-11-12(16-9-10)19(2)14(21)17-13(11)20/h3-4,8-9,18H,5-7H2,1-2H3,(H,17,20,21)/t15-/m1/s1.
What are the key properties of 1-methyl-N-[(1S)-1-methylcyclohex-3-en-1-yl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide?
1-methyl-N-[(1S)-1-methylcyclohex-3-en-1-yl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide has a molecular weight of 350.40 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1S)-1-methylcyclohex-3-en-1-yl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide is sourced from PubChem (CID 164634891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).