[4-(2-methylbutan-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanamine

C15H27N3S2 — CID 60876381

IUPAC[4-(2-methylbutan-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanamine
SMILESCCC(C)(C)C1CCC(CN)C(Sc2nnc(C)s2)C1
InChIInChI=1S/C15H27N3S2/c1-5-15(3,4)12-7-6-11(9-16)13(8-12)20-14-18-17-10(2)19-14/h11-13H,5-9,16H2,1-4H3
InChIKeyHNFIHNJSVNCZEX-UHFFFAOYSA-N
MW313.54 g/mol
LogP4.12
Rot. Bonds5

About [4-(2-methylbutan-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanamine

[4-(2-methylbutan-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanamine (PubChem CID 60876381) has the molecular formula C15H27N3S2 and a molecular weight of 313.54 g/mol. Its IUPAC name is [4-(2-methylbutan-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-(2-methylbutan-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanamine
PubChem CID60876381
Molecular FormulaC15H27N3S2
Molecular Weight313.54 g/mol
Exact Mass313.16
IUPAC Name[4-(2-methylbutan-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanamine
SMILESCCC(C)(C)C1CCC(CN)C(Sc2nnc(C)s2)C1
InChIInChI=1S/C15H27N3S2/c1-5-15(3,4)12-7-6-11(9-16)13(8-12)20-14-18-17-10(2)19-14/h11-13H,5-9,16H2,1-4H3
InChIKeyHNFIHNJSVNCZEX-UHFFFAOYSA-N
XLogP4.12
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.54
LogP ≤ 54.12
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-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanamine?
The IUPAC name of [4-(2-methylbutan-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanamine (CID 60876381) is [4-(2-methylbutan-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-(2-methylbutan-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanamine?
The canonical SMILES for [4-(2-methylbutan-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanamine is CCC(C)(C)C1CCC(CN)C(Sc2nnc(C)s2)C1.
What is the InChIKey of [4-(2-methylbutan-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanamine?
The InChIKey is HNFIHNJSVNCZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S2/c1-5-15(3,4)12-7-6-11(9-16)13(8-12)20-14-18-17-10(2)19-14/h11-13H,5-9,16H2,1-4H3.
What are the key properties of [4-(2-methylbutan-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanamine?
[4-(2-methylbutan-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanamine has a molecular weight of 313.54 g/mol, XLogP of 4.12, 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-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanamine is sourced from PubChem (CID 60876381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).