2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-4-propan-2-ylcyclohexan-1-amine

C12H21N3OS — CID 64634475

IUPAC2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCc1nnc(SC2CC(C(C)C)CCC2N)o1
InChIInChI=1S/C12H21N3OS/c1-7(2)9-4-5-10(13)11(6-9)17-12-15-14-8(3)16-12/h7,9-11H,4-6,13H2,1-3H3
InChIKeyMHUYLMTVVWTDPI-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.62
Rot. Bonds3

About 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-4-propan-2-ylcyclohexan-1-amine

2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-4-propan-2-ylcyclohexan-1-amine (PubChem CID 64634475) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-4-propan-2-ylcyclohexan-1-amine
PubChem CID64634475
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCc1nnc(SC2CC(C(C)C)CCC2N)o1
InChIInChI=1S/C12H21N3OS/c1-7(2)9-4-5-10(13)11(6-9)17-12-15-14-8(3)16-12/h7,9-11H,4-6,13H2,1-3H3
InChIKeyMHUYLMTVVWTDPI-UHFFFAOYSA-N
XLogP2.62
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-4-propan-2-ylcyclohexan-1-amine (CID 64634475) is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-4-propan-2-ylcyclohexan-1-amine is Cc1nnc(SC2CC(C(C)C)CCC2N)o1.
What is the InChIKey of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is MHUYLMTVVWTDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-7(2)9-4-5-10(13)11(6-9)17-12-15-14-8(3)16-12/h7,9-11H,4-6,13H2,1-3H3.
What are the key properties of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-4-propan-2-ylcyclohexan-1-amine?
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 255.39 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 64634475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).