4-tert-butyl-N-propyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine

C15H27N3S2 — CID 64649388

IUPAC4-tert-butyl-N-propyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine
SMILESCCCNC1CCC(C(C)(C)C)CC1Sc1nncs1
InChIInChI=1S/C15H27N3S2/c1-5-8-16-12-7-6-11(15(2,3)4)9-13(12)20-14-18-17-10-19-14/h10-13,16H,5-9H2,1-4H3
InChIKeyJSCUBTMRSMRFNF-UHFFFAOYSA-N
MW313.54 g/mol
LogP4.21
Rot. Bonds5

About 4-tert-butyl-N-propyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine

4-tert-butyl-N-propyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine (PubChem CID 64649388) has the molecular formula C15H27N3S2 and a molecular weight of 313.54 g/mol. Its IUPAC name is 4-tert-butyl-N-propyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-propyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine
PubChem CID64649388
Molecular FormulaC15H27N3S2
Molecular Weight313.54 g/mol
Exact Mass313.16
IUPAC Name4-tert-butyl-N-propyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine
SMILESCCCNC1CCC(C(C)(C)C)CC1Sc1nncs1
InChIInChI=1S/C15H27N3S2/c1-5-8-16-12-7-6-11(15(2,3)4)9-13(12)20-14-18-17-10-19-14/h10-13,16H,5-9H2,1-4H3
InChIKeyJSCUBTMRSMRFNF-UHFFFAOYSA-N
XLogP4.21
TPSA37.81 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 ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-propyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-propyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine (CID 64649388) is 4-tert-butyl-N-propyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-propyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-propyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine is CCCNC1CCC(C(C)(C)C)CC1Sc1nncs1.
What is the InChIKey of 4-tert-butyl-N-propyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine?
The InChIKey is JSCUBTMRSMRFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S2/c1-5-8-16-12-7-6-11(15(2,3)4)9-13(12)20-14-18-17-10-19-14/h10-13,16H,5-9H2,1-4H3.
What are the key properties of 4-tert-butyl-N-propyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine?
4-tert-butyl-N-propyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine has a molecular weight of 313.54 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-propyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine is sourced from PubChem (CID 64649388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).