N-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexanamine

C8H13N3S2 — CID 87276544

IUPACN-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexanamine
SMILESc1nnc(SNC2CCCCC2)s1
InChIInChI=1S/C8H13N3S2/c1-2-4-7(5-3-1)11-13-8-10-9-6-12-8/h6-7,11H,1-5H2
InChIKeyRSGPSQBZBZQCBL-UHFFFAOYSA-N
MW215.35 g/mol
LogP2.47
Rot. Bonds3

About N-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexanamine

N-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexanamine (PubChem CID 87276544) has the molecular formula C8H13N3S2 and a molecular weight of 215.35 g/mol. Its IUPAC name is N-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexanamine.

Molecular Properties

Compound NameN-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexanamine
PubChem CID87276544
Molecular FormulaC8H13N3S2
Molecular Weight215.35 g/mol
Exact Mass215.06
IUPAC NameN-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexanamine
SMILESc1nnc(SNC2CCCCC2)s1
InChIInChI=1S/C8H13N3S2/c1-2-4-7(5-3-1)11-13-8-10-9-6-12-8/h6-7,11H,1-5H2
InChIKeyRSGPSQBZBZQCBL-UHFFFAOYSA-N
XLogP2.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexanamine?
The IUPAC name of N-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexanamine (CID 87276544) is N-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexanamine.
What is the SMILES notation for N-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexanamine?
The canonical SMILES for N-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexanamine is c1nnc(SNC2CCCCC2)s1.
What is the InChIKey of N-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexanamine?
The InChIKey is RSGPSQBZBZQCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S2/c1-2-4-7(5-3-1)11-13-8-10-9-6-12-8/h6-7,11H,1-5H2.
What are the key properties of N-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexanamine?
N-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexanamine has a molecular weight of 215.35 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexanamine is sourced from PubChem (CID 87276544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).