5-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine

C11H21N4OS2+ — CID 8868919

IUPAC5-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCC(C)C[NH+]1CCO[C@@H](CSc2nnc(N)s2)C1
InChIInChI=1S/C11H20N4OS2/c1-8(2)5-15-3-4-16-9(6-15)7-17-11-14-13-10(12)18-11/h8-9H,3-7H2,1-2H3,(H2,12,13)/p+1/t9-/m1/s1
InChIKeyGMJFKLBMPNAJJP-SECBINFHSA-O
MW289.45 g/mol
LogP0.15
Rot. Bonds5

About 5-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine

5-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 8868919) has the molecular formula C11H21N4OS2+ and a molecular weight of 289.45 g/mol. Its IUPAC name is 5-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID8868919
Molecular FormulaC11H21N4OS2+
Molecular Weight289.45 g/mol
Exact Mass289.12
IUPAC Name5-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCC(C)C[NH+]1CCO[C@@H](CSc2nnc(N)s2)C1
InChIInChI=1S/C11H20N4OS2/c1-8(2)5-15-3-4-16-9(6-15)7-17-11-14-13-10(12)18-11/h8-9H,3-7H2,1-2H3,(H2,12,13)/p+1/t9-/m1/s1
InChIKeyGMJFKLBMPNAJJP-SECBINFHSA-O
XLogP0.15
TPSA65.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 8868919) is 5-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine is CC(C)C[NH+]1CCO[C@@H](CSc2nnc(N)s2)C1.
What is the InChIKey of 5-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is GMJFKLBMPNAJJP-SECBINFHSA-O. The full InChI is InChI=1S/C11H20N4OS2/c1-8(2)5-15-3-4-16-9(6-15)7-17-11-14-13-10(12)18-11/h8-9H,3-7H2,1-2H3,(H2,12,13)/p+1/t9-/m1/s1.
What are the key properties of 5-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
5-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 289.45 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 8868919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).