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

C16H24ClN5O5S — CID 120896388

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride
SMILESCOCC1(CNS(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CCNCC1.Cl
InChIInChI=1S/C16H23N5O5S.ClH/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);1H
InChIKeyJFLBKRXNBCCQQQ-UHFFFAOYSA-N
MW433.92 g/mol
LogP-0.66
Rot. Bonds6

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

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride (PubChem CID 120896388) has the molecular formula C16H24ClN5O5S and a molecular weight of 433.92 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride
PubChem CID120896388
Molecular FormulaC16H24ClN5O5S
Molecular Weight433.92 g/mol
Exact Mass433.12
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride
SMILESCOCC1(CNS(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CCNCC1.Cl
InChIInChI=1S/C16H23N5O5S.ClH/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);1H
InChIKeyJFLBKRXNBCCQQQ-UHFFFAOYSA-N
XLogP-0.66
TPSA135.18 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.92
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide
CID 120896389
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride
CID 120887385
3-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
CID 120877205
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride
CID 120896574
N-[(2R)-2-(ethylamino)propyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide
CID 120664592
3,5-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120896329
3,4-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120896903
methyl 2-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]pyrazol-1-yl]acetate;hydrochloride
CID 120896266
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylsulfonylbenzenesulfonamide
CID 120896801
N-[3-(aminomethyl)pentan-3-yl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride
CID 119981185
3-fluoro-4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
CID 120896550
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenylpyrazole-4-sulfonamide;hydrochloride
CID 120896584

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;hydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride (CID 120896388) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride is COCC1(CNS(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CCNCC1.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride?
The InChIKey is JFLBKRXNBCCQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O5S.ClH/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);1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride has a molecular weight of 433.92 g/mol, XLogP of -0.66, 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;hydrochloride is sourced from PubChem (CID 120896388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).