3-cyclohexyloxy-N-(thiadiazol-4-ylmethyl)propan-1-amine

C12H21N3OS — CID 43664071

IUPAC3-cyclohexyloxy-N-(thiadiazol-4-ylmethyl)propan-1-amine
SMILESc1snnc1CNCCCOC1CCCCC1
InChIInChI=1S/C12H21N3OS/c1-2-5-12(6-3-1)16-8-4-7-13-9-11-10-17-15-14-11/h10,12-13H,1-9H2
InChIKeyXQPVHMSXTFPJRP-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.37
Rot. Bonds7

About 3-cyclohexyloxy-N-(thiadiazol-4-ylmethyl)propan-1-amine

3-cyclohexyloxy-N-(thiadiazol-4-ylmethyl)propan-1-amine (PubChem CID 43664071) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 3-cyclohexyloxy-N-(thiadiazol-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-cyclohexyloxy-N-(thiadiazol-4-ylmethyl)propan-1-amine
PubChem CID43664071
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name3-cyclohexyloxy-N-(thiadiazol-4-ylmethyl)propan-1-amine
SMILESc1snnc1CNCCCOC1CCCCC1
InChIInChI=1S/C12H21N3OS/c1-2-5-12(6-3-1)16-8-4-7-13-9-11-10-17-15-14-11/h10,12-13H,1-9H2
InChIKeyXQPVHMSXTFPJRP-UHFFFAOYSA-N
XLogP2.37
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyloxy-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The IUPAC name of 3-cyclohexyloxy-N-(thiadiazol-4-ylmethyl)propan-1-amine (CID 43664071) is 3-cyclohexyloxy-N-(thiadiazol-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-cyclohexyloxy-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The canonical SMILES for 3-cyclohexyloxy-N-(thiadiazol-4-ylmethyl)propan-1-amine is c1snnc1CNCCCOC1CCCCC1.
What is the InChIKey of 3-cyclohexyloxy-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The InChIKey is XQPVHMSXTFPJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-2-5-12(6-3-1)16-8-4-7-13-9-11-10-17-15-14-11/h10,12-13H,1-9H2.
What are the key properties of 3-cyclohexyloxy-N-(thiadiazol-4-ylmethyl)propan-1-amine?
3-cyclohexyloxy-N-(thiadiazol-4-ylmethyl)propan-1-amine has a molecular weight of 255.39 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyloxy-N-(thiadiazol-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 43664071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).