N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-sulfonamide

C15H17N5O4S2 — CID 164550035

IUPACN-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-sulfonamide
SMILESCn1cc(Cn2c(=O)[nH]c3sc(S(=O)(=O)NC4(C)CC4)cc3c2=O)cn1
InChIInChI=1S/C15H17N5O4S2/c1-15(3-4-15)18-26(23,24)11-5-10-12(25-11)17-14(22)20(13(10)21)8-9-6-16-19(2)7-9/h5-7,18H,3-4,8H2,1-2H3,(H,17,22)
InChIKeyVFQCFJLJSDBXKT-UHFFFAOYSA-N
MW395.47 g/mol
LogP0.36
Rot. Bonds5

About N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-sulfonamide

N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-sulfonamide (PubChem CID 164550035) has the molecular formula C15H17N5O4S2 and a molecular weight of 395.47 g/mol. Its IUPAC name is N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-sulfonamide.

Molecular Properties

Compound NameN-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-sulfonamide
PubChem CID164550035
Molecular FormulaC15H17N5O4S2
Molecular Weight395.47 g/mol
Exact Mass395.07
IUPAC NameN-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-sulfonamide
SMILESCn1cc(Cn2c(=O)[nH]c3sc(S(=O)(=O)NC4(C)CC4)cc3c2=O)cn1
InChIInChI=1S/C15H17N5O4S2/c1-15(3-4-15)18-26(23,24)11-5-10-12(25-11)17-14(22)20(13(10)21)8-9-6-16-19(2)7-9/h5-7,18H,3-4,8H2,1-2H3,(H,17,22)
InChIKeyVFQCFJLJSDBXKT-UHFFFAOYSA-N
XLogP0.36
TPSA118.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-sulfonamide
CID 167135796
1-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-sulfonamide
CID 167135812
1-[(2E,4Z)-4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-5-fluoro-2-methylhexa-2,4-dienyl]-N-(1-methylcyclobutyl)-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-sulfonamide
CID 167136013
[(1-Methylcyclopropyl)-[3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxo-1-piperidin-4-ylthieno[2,3-d]pyrimidin-6-yl]sulfonylamino] 2,2,2-trifluoroacetate
CID 170309071
N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxo-1-piperidin-4-ylthieno[2,3-d]pyrimidine-6-sulfonamide;2,2,2-trifluoroacetic acid
CID 170309075
[[1-(1-Acetylpiperidin-4-yl)-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxothieno[2,3-d]pyrimidin-6-yl]sulfonyl-(1-methylcyclopropyl)amino] 2,2,2-trifluoroacetate
CID 170309078
1-(1-acetylpiperidin-4-yl)-N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-sulfonamide;2,2,2-trifluoroacetic acid
CID 170309079
1-[[1-(2,2-Difluoroethyl)pyrazol-4-yl]methyl]-6-[(1-methylcyclopropyl)amino]sulfanyl-2-methylidene-3-[(1-methylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 170345856
1-(4-Fluoropent-4-enyl)-6-[(1-methylcyclopropyl)amino]sulfanyl-3-[(1-methylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidine-2,4-dione
CID 170347685
N-(2,2-dimethylpentyl)-1-[(4E,6E)-4-ethyl-7-fluoro-8-methylnona-4,6-dienyl]-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-sulfinamide
CID 170347964
1-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-sulfonamide
CID 171051020
1-tert-butyl-N-(3-carbamoyl-5-piperidin-1-ylsulfonylthiophen-2-yl)pyrazole-4-carboxamide
CID 117774683

Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-sulfonamide?
The IUPAC name of N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-sulfonamide (CID 164550035) is N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-sulfonamide.
What is the SMILES notation for N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-sulfonamide?
The canonical SMILES for N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-sulfonamide is Cn1cc(Cn2c(=O)[nH]c3sc(S(=O)(=O)NC4(C)CC4)cc3c2=O)cn1.
What is the InChIKey of N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-sulfonamide?
The InChIKey is VFQCFJLJSDBXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O4S2/c1-15(3-4-15)18-26(23,24)11-5-10-12(25-11)17-14(22)20(13(10)21)8-9-6-16-19(2)7-9/h5-7,18H,3-4,8H2,1-2H3,(H,17,22).
What are the key properties of N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-sulfonamide?
N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-sulfonamide has a molecular weight of 395.47 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-sulfonamide is sourced from PubChem (CID 164550035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).