N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide

C14H18N4O3S2 — CID 91966940

IUPACN-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide
SMILESCc1cc(N2CCOCC2)nc(CNS(=O)(=O)c2cccs2)n1
InChIInChI=1S/C14H18N4O3S2/c1-11-9-13(18-4-6-21-7-5-18)17-12(16-11)10-15-23(19,20)14-3-2-8-22-14/h2-3,8-9,15H,4-7,10H2,1H3
InChIKeyRROIXHXBUIGWSG-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.16
Rot. Bonds5

About N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide

N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide (PubChem CID 91966940) has the molecular formula C14H18N4O3S2 and a molecular weight of 354.46 g/mol. Its IUPAC name is N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide
PubChem CID91966940
Molecular FormulaC14H18N4O3S2
Molecular Weight354.46 g/mol
Exact Mass354.08
IUPAC NameN-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide
SMILESCc1cc(N2CCOCC2)nc(CNS(=O)(=O)c2cccs2)n1
InChIInChI=1S/C14H18N4O3S2/c1-11-9-13(18-4-6-21-7-5-18)17-12(16-11)10-15-23(19,20)14-3-2-8-22-14/h2-3,8-9,15H,4-7,10H2,1H3
InChIKeyRROIXHXBUIGWSG-UHFFFAOYSA-N
XLogP1.16
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide
CID 71807412
N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-sulfonamide
CID 122255050
4-acetyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122319182
2,4-dimethoxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122319263
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 122319188
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-3-nitrobenzenesulfonamide
CID 122319266
1-methyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-2-propan-2-ylimidazole-4-sulfonamide
CID 122319238
5-bromo-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide
CID 122317962
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966835
2-(2,6-dioxopiperidin-1-yl)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide
CID 122319174
2-chloro-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122318153
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 94136143

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide (CID 91966940) is N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide is Cc1cc(N2CCOCC2)nc(CNS(=O)(=O)c2cccs2)n1.
What is the InChIKey of N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is RROIXHXBUIGWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S2/c1-11-9-13(18-4-6-21-7-5-18)17-12(16-11)10-15-23(19,20)14-3-2-8-22-14/h2-3,8-9,15H,4-7,10H2,1H3.
What are the key properties of N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide?
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 354.46 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 91966940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).