3-ethyl-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]-1,2,4-thiadiazol-5-amine

C10H17N3O2S2 — CID 164635320

IUPAC3-ethyl-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(N[C@@H](C)C2(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C10H17N3O2S2/c1-4-8-12-9(16-13-8)11-7(2)10(5-6-10)17(3,14)15/h7H,4-6H2,1-3H3,(H,11,12,13)/t7-/m0/s1
InChIKeyHTDIVLCWAZQFPQ-ZETCQYMHSA-N
MW275.40 g/mol
LogP1.48
Rot. Bonds5

About 3-ethyl-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]-1,2,4-thiadiazol-5-amine

3-ethyl-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 164635320) has the molecular formula C10H17N3O2S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-ethyl-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-ethyl-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]-1,2,4-thiadiazol-5-amine
PubChem CID164635320
Molecular FormulaC10H17N3O2S2
Molecular Weight275.40 g/mol
Exact Mass275.08
IUPAC Name3-ethyl-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(N[C@@H](C)C2(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C10H17N3O2S2/c1-4-8-12-9(16-13-8)11-7(2)10(5-6-10)17(3,14)15/h7H,4-6H2,1-3H3,(H,11,12,13)/t7-/m0/s1
InChIKeyHTDIVLCWAZQFPQ-ZETCQYMHSA-N
XLogP1.48
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-ethyl-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]-1,2,4-thiadiazol-5-amine (CID 164635320) is 3-ethyl-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-ethyl-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-ethyl-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]-1,2,4-thiadiazol-5-amine is CCc1nsc(N[C@@H](C)C2(S(C)(=O)=O)CC2)n1.
What is the InChIKey of 3-ethyl-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is HTDIVLCWAZQFPQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H17N3O2S2/c1-4-8-12-9(16-13-8)11-7(2)10(5-6-10)17(3,14)15/h7H,4-6H2,1-3H3,(H,11,12,13)/t7-/m0/s1.
What are the key properties of 3-ethyl-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]-1,2,4-thiadiazol-5-amine?
3-ethyl-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 275.40 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 164635320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).