[(3S)-3-(hydroxymethyl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone

C11H17N3O3S — CID 97040218

IUPAC[(3S)-3-(hydroxymethyl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCOC[C@@H]1CO
InChIInChI=1S/C11H17N3O3S/c1-2-3-9-10(18-13-12-9)11(16)14-4-5-17-7-8(14)6-15/h8,15H,2-7H2,1H3/t8-/m0/s1
InChIKeyVIRLSFIPRAAJAS-QMMMGPOBSA-N
MW271.34 g/mol
LogP0.32
Rot. Bonds4

About [(3S)-3-(hydroxymethyl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone

[(3S)-3-(hydroxymethyl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone (PubChem CID 97040218) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is [(3S)-3-(hydroxymethyl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(hydroxymethyl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone
PubChem CID97040218
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name[(3S)-3-(hydroxymethyl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCOC[C@@H]1CO
InChIInChI=1S/C11H17N3O3S/c1-2-3-9-10(18-13-12-9)11(16)14-4-5-17-7-8(14)6-15/h8,15H,2-7H2,1H3/t8-/m0/s1
InChIKeyVIRLSFIPRAAJAS-QMMMGPOBSA-N
XLogP0.32
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(hydroxymethyl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone?
The IUPAC name of [(3S)-3-(hydroxymethyl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone (CID 97040218) is [(3S)-3-(hydroxymethyl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone.
What is the SMILES notation for [(3S)-3-(hydroxymethyl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone?
The canonical SMILES for [(3S)-3-(hydroxymethyl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone is CCCc1nnsc1C(=O)N1CCOC[C@@H]1CO.
What is the InChIKey of [(3S)-3-(hydroxymethyl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone?
The InChIKey is VIRLSFIPRAAJAS-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-2-3-9-10(18-13-12-9)11(16)14-4-5-17-7-8(14)6-15/h8,15H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of [(3S)-3-(hydroxymethyl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone?
[(3S)-3-(hydroxymethyl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone has a molecular weight of 271.34 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(hydroxymethyl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone is sourced from PubChem (CID 97040218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).