3-(methanesulfonamido)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]propanamide

C9H16N4O4S2 — CID 134707819

IUPAC3-(methanesulfonamido)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCOC(C)c1nnc(NC(=O)CCNS(C)(=O)=O)s1
InChIInChI=1S/C9H16N4O4S2/c1-6(17-2)8-12-13-9(18-8)11-7(14)4-5-10-19(3,15)16/h6,10H,4-5H2,1-3H3,(H,11,13,14)
InChIKeyQEOJUFYKHTUMSO-UHFFFAOYSA-N
MW308.39 g/mol
LogP0.12
Rot. Bonds7

About 3-(methanesulfonamido)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]propanamide

3-(methanesulfonamido)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 134707819) has the molecular formula C9H16N4O4S2 and a molecular weight of 308.39 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID134707819
Molecular FormulaC9H16N4O4S2
Molecular Weight308.39 g/mol
Exact Mass308.06
IUPAC Name3-(methanesulfonamido)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCOC(C)c1nnc(NC(=O)CCNS(C)(=O)=O)s1
InChIInChI=1S/C9H16N4O4S2/c1-6(17-2)8-12-13-9(18-8)11-7(14)4-5-10-19(3,15)16/h6,10H,4-5H2,1-3H3,(H,11,13,14)
InChIKeyQEOJUFYKHTUMSO-UHFFFAOYSA-N
XLogP0.12
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of 3-(methanesulfonamido)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]propanamide (CID 134707819) is 3-(methanesulfonamido)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for 3-(methanesulfonamido)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]propanamide is COC(C)c1nnc(NC(=O)CCNS(C)(=O)=O)s1.
What is the InChIKey of 3-(methanesulfonamido)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is QEOJUFYKHTUMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O4S2/c1-6(17-2)8-12-13-9(18-8)11-7(14)4-5-10-19(3,15)16/h6,10H,4-5H2,1-3H3,(H,11,13,14).
What are the key properties of 3-(methanesulfonamido)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]propanamide?
3-(methanesulfonamido)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 308.39 g/mol, XLogP of 0.12, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 134707819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).