N-(1-ethylpiperidin-4-yl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide

C14H24N4O4S — CID 36649212

IUPACN-(1-ethylpiperidin-4-yl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCCN1CCC(N(C)S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1
InChIInChI=1S/C14H24N4O4S/c1-5-18-8-6-11(7-9-18)17(4)23(21,22)12-10-15(2)14(20)16(3)13(12)19/h10-11H,5-9H2,1-4H3
InChIKeyZPGRTZZPKFIOEJ-UHFFFAOYSA-N
MW344.44 g/mol
LogP-0.81
Rot. Bonds4

About N-(1-ethylpiperidin-4-yl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide

N-(1-ethylpiperidin-4-yl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 36649212) has the molecular formula C14H24N4O4S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID36649212
Molecular FormulaC14H24N4O4S
Molecular Weight344.44 g/mol
Exact Mass344.15
IUPAC NameN-(1-ethylpiperidin-4-yl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCCN1CCC(N(C)S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1
InChIInChI=1S/C14H24N4O4S/c1-5-18-8-6-11(7-9-18)17(4)23(21,22)12-10-15(2)14(20)16(3)13(12)19/h10-11H,5-9H2,1-4H3
InChIKeyZPGRTZZPKFIOEJ-UHFFFAOYSA-N
XLogP-0.81
TPSA84.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 5-0.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide (CID 36649212) is N-(1-ethylpiperidin-4-yl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide is CCN1CCC(N(C)S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is ZPGRTZZPKFIOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O4S/c1-5-18-8-6-11(7-9-18)17(4)23(21,22)12-10-15(2)14(20)16(3)13(12)19/h10-11H,5-9H2,1-4H3.
What are the key properties of N-(1-ethylpiperidin-4-yl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide?
N-(1-ethylpiperidin-4-yl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 344.44 g/mol, XLogP of -0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 36649212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).