N-[1-[3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide

C20H26N6O3S3 — CID 41247054

IUPACN-[1-[3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
SMILESCSc1nc2nc(C)c(CCC(=O)N3CCC(NS(=O)(=O)c4cccs4)CC3)c(C)n2n1
InChIInChI=1S/C20H26N6O3S3/c1-13-16(14(2)26-19(21-13)22-20(23-26)30-3)6-7-17(27)25-10-8-15(9-11-25)24-32(28,29)18-5-4-12-31-18/h4-5,12,15,24H,6-11H2,1-3H3
InChIKeyJWCHWGCMQQCJLC-UHFFFAOYSA-N
MW494.67 g/mol
LogP2.43
Rot. Bonds7

About N-[1-[3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide

N-[1-[3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide (PubChem CID 41247054) has the molecular formula C20H26N6O3S3 and a molecular weight of 494.67 g/mol. Its IUPAC name is N-[1-[3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
PubChem CID41247054
Molecular FormulaC20H26N6O3S3
Molecular Weight494.67 g/mol
Exact Mass494.12
IUPAC NameN-[1-[3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
SMILESCSc1nc2nc(C)c(CCC(=O)N3CCC(NS(=O)(=O)c4cccs4)CC3)c(C)n2n1
InChIInChI=1S/C20H26N6O3S3/c1-13-16(14(2)26-19(21-13)22-20(23-26)30-3)6-7-17(27)25-10-8-15(9-11-25)24-32(28,29)18-5-4-12-31-18/h4-5,12,15,24H,6-11H2,1-3H3
InChIKeyJWCHWGCMQQCJLC-UHFFFAOYSA-N
XLogP2.43
TPSA109.56 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.67
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[1-[3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide with MolForge

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Related Compounds

1-[3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-N-phenylpiperidine-4-carboxamide
CID 17392294
3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 16577042
N-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 33173044
N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 33168871
N-[1-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyl]piperidin-4-yl]methanesulfonamide
CID 55492361
N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 119291200
3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 24550756
2-[4-[3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperazin-1-yl]sulfonylbenzonitrile
CID 27807108
N-[1-[2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 33349321
3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 30337194
N-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 39205864
N-[1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 55822643

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-[3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide (CID 41247054) is N-[1-[3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-[3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-[3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide is CSc1nc2nc(C)c(CCC(=O)N3CCC(NS(=O)(=O)c4cccs4)CC3)c(C)n2n1.
What is the InChIKey of N-[1-[3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide?
The InChIKey is JWCHWGCMQQCJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O3S3/c1-13-16(14(2)26-19(21-13)22-20(23-26)30-3)6-7-17(27)25-10-8-15(9-11-25)24-32(28,29)18-5-4-12-31-18/h4-5,12,15,24H,6-11H2,1-3H3.
What are the key properties of N-[1-[3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide?
N-[1-[3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide has a molecular weight of 494.67 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 41247054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).