methyl 1-amino-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexane-1-carboxylate

C10H15N3O2S2 — CID 79635853

IUPACmethyl 1-amino-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1(N)CCCC(Sc2nncs2)C1
InChIInChI=1S/C10H15N3O2S2/c1-15-8(14)10(11)4-2-3-7(5-10)17-9-13-12-6-16-9/h6-7H,2-5,11H2,1H3
InChIKeyUFAXSGYKYDWZFM-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.44
Rot. Bonds3

About methyl 1-amino-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexane-1-carboxylate

methyl 1-amino-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexane-1-carboxylate (PubChem CID 79635853) has the molecular formula C10H15N3O2S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is methyl 1-amino-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexane-1-carboxylate
PubChem CID79635853
Molecular FormulaC10H15N3O2S2
Molecular Weight273.38 g/mol
Exact Mass273.06
IUPAC Namemethyl 1-amino-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1(N)CCCC(Sc2nncs2)C1
InChIInChI=1S/C10H15N3O2S2/c1-15-8(14)10(11)4-2-3-7(5-10)17-9-13-12-6-16-9/h6-7H,2-5,11H2,1H3
InChIKeyUFAXSGYKYDWZFM-UHFFFAOYSA-N
XLogP1.44
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-amino-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexane-1-carboxylate (CID 79635853) is methyl 1-amino-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-amino-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-amino-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexane-1-carboxylate is COC(=O)C1(N)CCCC(Sc2nncs2)C1.
What is the InChIKey of methyl 1-amino-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexane-1-carboxylate?
The InChIKey is UFAXSGYKYDWZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S2/c1-15-8(14)10(11)4-2-3-7(5-10)17-9-13-12-6-16-9/h6-7H,2-5,11H2,1H3.
What are the key properties of methyl 1-amino-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexane-1-carboxylate?
methyl 1-amino-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexane-1-carboxylate has a molecular weight of 273.38 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 79635853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).