trans-(1S,2S)-2-fluoro-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine

C9H14FN3S — CID 164641599

IUPACtrans-(1S,2S)-2-fluoro-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine
SMILESF[C@H]1CCCC[C@@H]1NCc1csnn1
InChIInChI=1S/C9H14FN3S/c10-8-3-1-2-4-9(8)11-5-7-6-14-13-12-7/h6,8-9,11H,1-5H2/t8-,9-/m0/s1
InChIKeyPVNAAWVTFOQLMA-IUCAKERBSA-N
MW215.30 g/mol
LogP1.91
Rot. Bonds3

About trans-(1S,2S)-2-fluoro-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine

trans-(1S,2S)-2-fluoro-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine (PubChem CID 164641599) has the molecular formula C9H14FN3S and a molecular weight of 215.30 g/mol. Its IUPAC name is trans-(1S,2S)-2-fluoro-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-2-fluoro-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine
PubChem CID164641599
Molecular FormulaC9H14FN3S
Molecular Weight215.30 g/mol
Exact Mass215.09
IUPAC Nametrans-(1S,2S)-2-fluoro-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine
SMILESF[C@H]1CCCC[C@@H]1NCc1csnn1
InChIInChI=1S/C9H14FN3S/c10-8-3-1-2-4-9(8)11-5-7-6-14-13-12-7/h6,8-9,11H,1-5H2/t8-,9-/m0/s1
InChIKeyPVNAAWVTFOQLMA-IUCAKERBSA-N
XLogP1.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-fluoro-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine?
The IUPAC name of trans-(1S,2S)-2-fluoro-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine (CID 164641599) is trans-(1S,2S)-2-fluoro-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for trans-(1S,2S)-2-fluoro-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for trans-(1S,2S)-2-fluoro-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine is F[C@H]1CCCC[C@@H]1NCc1csnn1.
What is the InChIKey of trans-(1S,2S)-2-fluoro-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine?
The InChIKey is PVNAAWVTFOQLMA-IUCAKERBSA-N. The full InChI is InChI=1S/C9H14FN3S/c10-8-3-1-2-4-9(8)11-5-7-6-14-13-12-7/h6,8-9,11H,1-5H2/t8-,9-/m0/s1.
What are the key properties of trans-(1S,2S)-2-fluoro-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine?
trans-(1S,2S)-2-fluoro-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine has a molecular weight of 215.30 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-fluoro-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 164641599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).