N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide

C18H24N8OS — CID 75464565

IUPACN-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
SMILESCSCC[C@H](NC(=O)C1(n2cnnn2)CCCCC1)c1nnc2ccccn12
InChIInChI=1S/C18H24N8OS/c1-28-12-8-14(16-22-21-15-7-3-6-11-25(15)16)20-17(27)18(9-4-2-5-10-18)26-13-19-23-24-26/h3,6-7,11,13-14H,2,4-5,8-10,12H2,1H3,(H,20,27)/t14-/m0/s1
InChIKeyGSPLRCDOOURWJV-AWEZNQCLSA-N
MW400.51 g/mol
LogP1.99
Rot. Bonds7

About N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide

N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide (PubChem CID 75464565) has the molecular formula C18H24N8OS and a molecular weight of 400.51 g/mol. Its IUPAC name is N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
PubChem CID75464565
Molecular FormulaC18H24N8OS
Molecular Weight400.51 g/mol
Exact Mass400.18
IUPAC NameN-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
SMILESCSCC[C@H](NC(=O)C1(n2cnnn2)CCCCC1)c1nnc2ccccn12
InChIInChI=1S/C18H24N8OS/c1-28-12-8-14(16-22-21-15-7-3-6-11-25(15)16)20-17(27)18(9-4-2-5-10-18)26-13-19-23-24-26/h3,6-7,11,13-14H,2,4-5,8-10,12H2,1H3,(H,20,27)/t14-/m0/s1
InChIKeyGSPLRCDOOURWJV-AWEZNQCLSA-N
XLogP1.99
TPSA102.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.51
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide with MolForge

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Related Compounds

N-[(1R)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-(tetrazol-1-yl)benzamide
CID 124541843
N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-phenylacetamide
CID 42652598
2,2,2-trichloro-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 23474192
N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 51268673
3-methyl-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]but-2-enamide
CID 55535631
4-(methylamino)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]butanamide
CID 119837156
2-(4-aminophenyl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide;dihydrochloride
CID 119837153
2-(1,3-dioxoisoindol-2-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 42650767
3-methyl-N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-oxophthalazine-1-carboxamide
CID 91641087
N-[2-[[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 51285932
N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 112829820
4-ethenyl-N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 99783852

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide (CID 75464565) is N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide is CSCC[C@H](NC(=O)C1(n2cnnn2)CCCCC1)c1nnc2ccccn12.
What is the InChIKey of N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The InChIKey is GSPLRCDOOURWJV-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N8OS/c1-28-12-8-14(16-22-21-15-7-3-6-11-25(15)16)20-17(27)18(9-4-2-5-10-18)26-13-19-23-24-26/h3,6-7,11,13-14H,2,4-5,8-10,12H2,1H3,(H,20,27)/t14-/m0/s1.
What are the key properties of N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide has a molecular weight of 400.51 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 75464565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).