3-tert-butyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine

C14H26N4O2S2 — CID 86801697

IUPAC3-tert-butyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine
SMILESCC(C)(C)c1nsc(NC2CCN(CCS(C)(=O)=O)CC2)n1
InChIInChI=1S/C14H26N4O2S2/c1-14(2,3)12-16-13(21-17-12)15-11-5-7-18(8-6-11)9-10-22(4,19)20/h11H,5-10H2,1-4H3,(H,15,16,17)
InChIKeyCEJWJGUQQBQHIO-UHFFFAOYSA-N
MW346.52 g/mol
LogP1.76
Rot. Bonds5

About 3-tert-butyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine

3-tert-butyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine (PubChem CID 86801697) has the molecular formula C14H26N4O2S2 and a molecular weight of 346.52 g/mol. Its IUPAC name is 3-tert-butyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine
PubChem CID86801697
Molecular FormulaC14H26N4O2S2
Molecular Weight346.52 g/mol
Exact Mass346.15
IUPAC Name3-tert-butyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine
SMILESCC(C)(C)c1nsc(NC2CCN(CCS(C)(=O)=O)CC2)n1
InChIInChI=1S/C14H26N4O2S2/c1-14(2,3)12-16-13(21-17-12)15-11-5-7-18(8-6-11)9-10-22(4,19)20/h11H,5-10H2,1-4H3,(H,15,16,17)
InChIKeyCEJWJGUQQBQHIO-UHFFFAOYSA-N
XLogP1.76
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-tert-butyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine (CID 86801697) is 3-tert-butyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-tert-butyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-tert-butyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine is CC(C)(C)c1nsc(NC2CCN(CCS(C)(=O)=O)CC2)n1.
What is the InChIKey of 3-tert-butyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine?
The InChIKey is CEJWJGUQQBQHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S2/c1-14(2,3)12-16-13(21-17-12)15-11-5-7-18(8-6-11)9-10-22(4,19)20/h11H,5-10H2,1-4H3,(H,15,16,17).
What are the key properties of 3-tert-butyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine?
3-tert-butyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine has a molecular weight of 346.52 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 86801697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).