[4-(2-methylbutan-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexyl]methanamine

C14H25N3S2 — CID 43530656

IUPAC[4-(2-methylbutan-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexyl]methanamine
SMILESCCC(C)(C)C1CCC(CN)C(Sc2nncs2)C1
InChIInChI=1S/C14H25N3S2/c1-4-14(2,3)11-6-5-10(8-15)12(7-11)19-13-17-16-9-18-13/h9-12H,4-8,15H2,1-3H3
InChIKeyGIVFIAXHSMHNBO-UHFFFAOYSA-N
MW299.51 g/mol
LogP3.81
Rot. Bonds5

About [4-(2-methylbutan-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexyl]methanamine

[4-(2-methylbutan-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexyl]methanamine (PubChem CID 43530656) has the molecular formula C14H25N3S2 and a molecular weight of 299.51 g/mol. Its IUPAC name is [4-(2-methylbutan-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-(2-methylbutan-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexyl]methanamine
PubChem CID43530656
Molecular FormulaC14H25N3S2
Molecular Weight299.51 g/mol
Exact Mass299.15
IUPAC Name[4-(2-methylbutan-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexyl]methanamine
SMILESCCC(C)(C)C1CCC(CN)C(Sc2nncs2)C1
InChIInChI=1S/C14H25N3S2/c1-4-14(2,3)11-6-5-10(8-15)12(7-11)19-13-17-16-9-18-13/h9-12H,4-8,15H2,1-3H3
InChIKeyGIVFIAXHSMHNBO-UHFFFAOYSA-N
XLogP3.81
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.51
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methylbutan-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexyl]methanamine?
The IUPAC name of [4-(2-methylbutan-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexyl]methanamine (CID 43530656) is [4-(2-methylbutan-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexyl]methanamine.
What is the SMILES notation for [4-(2-methylbutan-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexyl]methanamine?
The canonical SMILES for [4-(2-methylbutan-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexyl]methanamine is CCC(C)(C)C1CCC(CN)C(Sc2nncs2)C1.
What is the InChIKey of [4-(2-methylbutan-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexyl]methanamine?
The InChIKey is GIVFIAXHSMHNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S2/c1-4-14(2,3)11-6-5-10(8-15)12(7-11)19-13-17-16-9-18-13/h9-12H,4-8,15H2,1-3H3.
What are the key properties of [4-(2-methylbutan-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexyl]methanamine?
[4-(2-methylbutan-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexyl]methanamine has a molecular weight of 299.51 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylbutan-2-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexyl]methanamine is sourced from PubChem (CID 43530656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).