N-methyl-2,4-dioxo-N-(piperidin-4-ylmethyl)-1H-pyrimidine-5-sulfonamide

C11H18N4O4S — CID 79716739

IUPACN-methyl-2,4-dioxo-N-(piperidin-4-ylmethyl)-1H-pyrimidine-5-sulfonamide
SMILESCN(CC1CCNCC1)S(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H18N4O4S/c1-15(7-8-2-4-12-5-3-8)20(18,19)9-6-13-11(17)14-10(9)16/h6,8,12H,2-5,7H2,1H3,(H2,13,14,16,17)
InChIKeyOGNAFKWKCWUHRR-UHFFFAOYSA-N
MW302.36 g/mol
LogP-1.32
Rot. Bonds4

About N-methyl-2,4-dioxo-N-(piperidin-4-ylmethyl)-1H-pyrimidine-5-sulfonamide

N-methyl-2,4-dioxo-N-(piperidin-4-ylmethyl)-1H-pyrimidine-5-sulfonamide (PubChem CID 79716739) has the molecular formula C11H18N4O4S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-methyl-2,4-dioxo-N-(piperidin-4-ylmethyl)-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-2,4-dioxo-N-(piperidin-4-ylmethyl)-1H-pyrimidine-5-sulfonamide
PubChem CID79716739
Molecular FormulaC11H18N4O4S
Molecular Weight302.36 g/mol
Exact Mass302.10
IUPAC NameN-methyl-2,4-dioxo-N-(piperidin-4-ylmethyl)-1H-pyrimidine-5-sulfonamide
SMILESCN(CC1CCNCC1)S(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H18N4O4S/c1-15(7-8-2-4-12-5-3-8)20(18,19)9-6-13-11(17)14-10(9)16/h6,8,12H,2-5,7H2,1H3,(H2,13,14,16,17)
InChIKeyOGNAFKWKCWUHRR-UHFFFAOYSA-N
XLogP-1.32
TPSA115.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2,4-dioxo-N-piperidin-3-yl-1H-pyrimidine-5-sulfonamide
CID 63643355
N-methyl-N-(1-methylpiperidin-4-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 21008150
2,4-dioxo-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrimidine-5-carboxamide
CID 79701435
N-cyclopropyl-2,4-dioxo-N-(piperidin-4-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 79701478
2,4-dioxo-N,N-bis(prop-2-enyl)-1H-pyrimidine-5-sulfonamide
CID 21008159
N-methyl-1-phenyl-N-(piperidin-4-ylmethyl)methanesulfonamide
CID 79716981
5-chloro-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide
CID 79716907
5-bromo-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide;hydrochloride
CID 71642494
N-methyl-N-(piperidin-4-ylmethyl)propane-2-sulfonamide
CID 79717302
5-amino-N-(cyclopropylmethyl)-N-methyl-1H-indole-3-sulfonamide
CID 64850304
N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 79701884
4-bromo-3-fluoro-N-methyl-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 107650163

Frequently Asked Questions

What is the IUPAC name of N-methyl-2,4-dioxo-N-(piperidin-4-ylmethyl)-1H-pyrimidine-5-sulfonamide?
The IUPAC name of N-methyl-2,4-dioxo-N-(piperidin-4-ylmethyl)-1H-pyrimidine-5-sulfonamide (CID 79716739) is N-methyl-2,4-dioxo-N-(piperidin-4-ylmethyl)-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for N-methyl-2,4-dioxo-N-(piperidin-4-ylmethyl)-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for N-methyl-2,4-dioxo-N-(piperidin-4-ylmethyl)-1H-pyrimidine-5-sulfonamide is CN(CC1CCNCC1)S(=O)(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-methyl-2,4-dioxo-N-(piperidin-4-ylmethyl)-1H-pyrimidine-5-sulfonamide?
The InChIKey is OGNAFKWKCWUHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4S/c1-15(7-8-2-4-12-5-3-8)20(18,19)9-6-13-11(17)14-10(9)16/h6,8,12H,2-5,7H2,1H3,(H2,13,14,16,17).
What are the key properties of N-methyl-2,4-dioxo-N-(piperidin-4-ylmethyl)-1H-pyrimidine-5-sulfonamide?
N-methyl-2,4-dioxo-N-(piperidin-4-ylmethyl)-1H-pyrimidine-5-sulfonamide has a molecular weight of 302.36 g/mol, XLogP of -1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2,4-dioxo-N-(piperidin-4-ylmethyl)-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 79716739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).