N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-sulfonamide

C16H22N6O3S2 — CID 122255050

IUPACN-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1nc(N2CCCC2)nc(N2CCOCC2)n1)c1cccs1
InChIInChI=1S/C16H22N6O3S2/c23-27(24,14-4-3-11-26-14)17-12-13-18-15(21-5-1-2-6-21)20-16(19-13)22-7-9-25-10-8-22/h3-4,11,17H,1-2,5-10,12H2
InChIKeyJYPGLCGWYQWJBZ-UHFFFAOYSA-N
MW410.53 g/mol
LogP0.85
Rot. Bonds6

About N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-sulfonamide

N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-sulfonamide (PubChem CID 122255050) has the molecular formula C16H22N6O3S2 and a molecular weight of 410.53 g/mol. Its IUPAC name is N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-sulfonamide
PubChem CID122255050
Molecular FormulaC16H22N6O3S2
Molecular Weight410.53 g/mol
Exact Mass410.12
IUPAC NameN-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1nc(N2CCCC2)nc(N2CCOCC2)n1)c1cccs1
InChIInChI=1S/C16H22N6O3S2/c23-27(24,14-4-3-11-26-14)17-12-13-18-15(21-5-1-2-6-21)20-16(19-13)22-7-9-25-10-8-22/h3-4,11,17H,1-2,5-10,12H2
InChIKeyJYPGLCGWYQWJBZ-UHFFFAOYSA-N
XLogP0.85
TPSA100.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.53
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-sulfonamide
CID 122255149
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide
CID 91966940
2-chloro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
CID 122255045
2-cyano-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
CID 121138161
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide
CID 71807412
2-methoxy-5-methyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
CID 122255042
3,3,3-trifluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]propane-1-sulfonamide
CID 122255164
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 94136143
N-[[5-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122253924
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thiophene-2-sulfonamide
CID 45003189
N-[2-[4-(azepan-1-yl)phenyl]ethyl]thiophene-2-sulfonamide
CID 16890340
N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide
CID 122254955

Frequently Asked Questions

What is the IUPAC name of N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-sulfonamide (CID 122255050) is N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-sulfonamide is O=S(=O)(NCc1nc(N2CCCC2)nc(N2CCOCC2)n1)c1cccs1.
What is the InChIKey of N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is JYPGLCGWYQWJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O3S2/c23-27(24,14-4-3-11-26-14)17-12-13-18-15(21-5-1-2-6-21)20-16(19-13)22-7-9-25-10-8-22/h3-4,11,17H,1-2,5-10,12H2.
What are the key properties of N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-sulfonamide?
N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 410.53 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 122255050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).