N-[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]cyclohexanecarboxamide

C10H14N4OS2 — CID 174664589

IUPACN-[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]cyclohexanecarboxamide
SMILESO=C(Nc1nc(=S)[nH]c(=S)[nH]1)C1CCCCC1
InChIInChI=1S/C10H14N4OS2/c15-7(6-4-2-1-3-5-6)11-8-12-9(16)14-10(17)13-8/h6H,1-5H2,(H3,11,12,13,14,15,16,17)
InChIKeyFDODFFMFWGSGBU-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.72
Rot. Bonds2

About N-[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]cyclohexanecarboxamide

N-[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]cyclohexanecarboxamide (PubChem CID 174664589) has the molecular formula C10H14N4OS2 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]cyclohexanecarboxamide
PubChem CID174664589
Molecular FormulaC10H14N4OS2
Molecular Weight270.38 g/mol
Exact Mass270.06
IUPAC NameN-[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]cyclohexanecarboxamide
SMILESO=C(Nc1nc(=S)[nH]c(=S)[nH]1)C1CCCCC1
InChIInChI=1S/C10H14N4OS2/c15-7(6-4-2-1-3-5-6)11-8-12-9(16)14-10(17)13-8/h6H,1-5H2,(H3,11,12,13,14,15,16,17)
InChIKeyFDODFFMFWGSGBU-UHFFFAOYSA-N
XLogP2.72
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

6-(cyclopentylamino)-1H-1,3,5-triazine-2,4-dithione
CID 54184838
N-[6-(cyclohexanecarbonylamino)-2-pyridinyl]cyclohexanecarboxamide
CID 5223932
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)cyclohexanecarboxamide
CID 72720604
1-[[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]amino]propan-2-one
CID 100915183
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopentanecarboxamide
CID 78928145
N-(1H-pyrazol-5-yl)cyclooctanecarboxamide
CID 65023446
N-(1H-pyrazol-5-yl)cycloheptanecarboxamide
CID 60616368
N-(6-bromo-2-methyl-3-pyridinyl)cyclohexanecarboxamide
CID 103909516
N-(4-chloro-5-cyclohexyl-1,3-thiazol-2-yl)cyclobutanecarboxamide
CID 167109788
ethane;N-(4-methyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 143608697
N-(5-methyl-1H-pyrazol-3-yl)cyclooctanecarboxamide
CID 65022914

Frequently Asked Questions

What is the IUPAC name of N-[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]cyclohexanecarboxamide (CID 174664589) is N-[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]cyclohexanecarboxamide is O=C(Nc1nc(=S)[nH]c(=S)[nH]1)C1CCCCC1.
What is the InChIKey of N-[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]cyclohexanecarboxamide?
The InChIKey is FDODFFMFWGSGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS2/c15-7(6-4-2-1-3-5-6)11-8-12-9(16)14-10(17)13-8/h6H,1-5H2,(H3,11,12,13,14,15,16,17).
What are the key properties of N-[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]cyclohexanecarboxamide?
N-[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]cyclohexanecarboxamide has a molecular weight of 270.38 g/mol, XLogP of 2.72, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 174664589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).