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

C11H19N3S2 — CID 60876574

IUPAC[4-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanamine
SMILESCc1nnc(SC2CC(C)CCC2CN)s1
InChIInChI=1S/C11H19N3S2/c1-7-3-4-9(6-12)10(5-7)16-11-14-13-8(2)15-11/h7,9-10H,3-6,12H2,1-2H3
InChIKeyVUTKMBSZOLSERS-UHFFFAOYSA-N
MW257.43 g/mol
LogP2.70
Rot. Bonds3

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

[4-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanamine (PubChem CID 60876574) has the molecular formula C11H19N3S2 and a molecular weight of 257.43 g/mol. Its IUPAC name is [4-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanamine
PubChem CID60876574
Molecular FormulaC11H19N3S2
Molecular Weight257.43 g/mol
Exact Mass257.10
IUPAC Name[4-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanamine
SMILESCc1nnc(SC2CC(C)CCC2CN)s1
InChIInChI=1S/C11H19N3S2/c1-7-3-4-9(6-12)10(5-7)16-11-14-13-8(2)15-11/h7,9-10H,3-6,12H2,1-2H3
InChIKeyVUTKMBSZOLSERS-UHFFFAOYSA-N
XLogP2.70
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanamine?
The IUPAC name of [4-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanamine (CID 60876574) is [4-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanamine?
The canonical SMILES for [4-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanamine is Cc1nnc(SC2CC(C)CCC2CN)s1.
What is the InChIKey of [4-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanamine?
The InChIKey is VUTKMBSZOLSERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S2/c1-7-3-4-9(6-12)10(5-7)16-11-14-13-8(2)15-11/h7,9-10H,3-6,12H2,1-2H3.
What are the key properties of [4-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanamine?
[4-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanamine has a molecular weight of 257.43 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanamine is sourced from PubChem (CID 60876574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).