N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide

C16H23N5O5S — CID 120896389

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide
SMILESCOCC1(CNS(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CCNCC1
InChIInChI=1S/C16H23N5O5S/c1-21-13-12(14(22)20-15(21)23)7-11(8-18-13)27(24,25)19-9-16(10-26-2)3-5-17-6-4-16/h7-8,17,19H,3-6,9-10H2,1-2H3,(H,20,22,23)
InChIKeyOOABVUGGTMHTTI-UHFFFAOYSA-N
MW397.46 g/mol
LogP-1.08
Rot. Bonds6

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide (PubChem CID 120896389) has the molecular formula C16H23N5O5S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide
PubChem CID120896389
Molecular FormulaC16H23N5O5S
Molecular Weight397.46 g/mol
Exact Mass397.14
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide
SMILESCOCC1(CNS(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CCNCC1
InChIInChI=1S/C16H23N5O5S/c1-21-13-12(14(22)20-15(21)23)7-11(8-18-13)27(24,25)19-9-16(10-26-2)3-5-17-6-4-16/h7-8,17,19H,3-6,9-10H2,1-2H3,(H,20,22,23)
InChIKeyOOABVUGGTMHTTI-UHFFFAOYSA-N
XLogP-1.08
TPSA135.18 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide with MolForge

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Related Compounds

1-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido(2,3-d)pyrimidine-6-sulfonyl chloride
CID 50988977
2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-6-sulfonyl chloride
CID 73994637
4-({6-ethyl-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-5-yl}amino)benzene-1-sulfonamide
CID 16845410
1-Methyl-6-piperidin-1-ylsulfonylpyrido[2,3-d]pyrimidine-2,4-dione
CID 53549535
N-cyclohexyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide
CID 53556041
6-[(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
CID 53619150
N-(6-tert-butylpyridazin-3-yl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide
CID 86807272
1-methyl-2,4-dioxo-N-phenyl-N-[(1S)-1-phenylethyl]pyrido[2,3-d]pyrimidine-6-sulfonamide
CID 99800611
1-methyl-N-[(1S)-1-methylcyclohex-3-en-1-yl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide
CID 164634891
2,4-dioxo-N-[3,3,3-trifluoro-1-(4-methylphenyl)propyl]-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide
CID 145892697
2-methyl-1,1,3-trioxo-N-(3,4,5-trifluorophenyl)-4H-pyrido[2,3-e][1,2,4]thiadiazine-7-carboxamide
CID 146304082
4-(2-((1,3,6-Trimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-5-yl)amino)ethyl)benzenesulfonamide
CID 30607221

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide (CID 120896389) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide is COCC1(CNS(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CCNCC1.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide?
The InChIKey is OOABVUGGTMHTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O5S/c1-21-13-12(14(22)20-15(21)23)7-11(8-18-13)27(24,25)19-9-16(10-26-2)3-5-17-6-4-16/h7-8,17,19H,3-6,9-10H2,1-2H3,(H,20,22,23).
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide has a molecular weight of 397.46 g/mol, XLogP of -1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide is sourced from PubChem (CID 120896389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).