3-morpholin-4-ylsulfonyl-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide

C12H19N3O4S2 — CID 110305020

IUPAC3-morpholin-4-ylsulfonyl-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
SMILESO=C(CCS(=O)(=O)N1CCOCC1)NCCc1cscn1
InChIInChI=1S/C12H19N3O4S2/c16-12(13-3-1-11-9-20-10-14-11)2-8-21(17,18)15-4-6-19-7-5-15/h9-10H,1-8H2,(H,13,16)
InChIKeyFWFUFDVBMHZYBL-UHFFFAOYSA-N
MW333.44 g/mol
LogP-0.15
Rot. Bonds7

About 3-morpholin-4-ylsulfonyl-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide

3-morpholin-4-ylsulfonyl-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide (PubChem CID 110305020) has the molecular formula C12H19N3O4S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 3-morpholin-4-ylsulfonyl-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-morpholin-4-ylsulfonyl-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
PubChem CID110305020
Molecular FormulaC12H19N3O4S2
Molecular Weight333.44 g/mol
Exact Mass333.08
IUPAC Name3-morpholin-4-ylsulfonyl-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
SMILESO=C(CCS(=O)(=O)N1CCOCC1)NCCc1cscn1
InChIInChI=1S/C12H19N3O4S2/c16-12(13-3-1-11-9-20-10-14-11)2-8-21(17,18)15-4-6-19-7-5-15/h9-10H,1-8H2,(H,13,16)
InChIKeyFWFUFDVBMHZYBL-UHFFFAOYSA-N
XLogP-0.15
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylsulfonyl-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide?
The IUPAC name of 3-morpholin-4-ylsulfonyl-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide (CID 110305020) is 3-morpholin-4-ylsulfonyl-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-morpholin-4-ylsulfonyl-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide?
The canonical SMILES for 3-morpholin-4-ylsulfonyl-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide is O=C(CCS(=O)(=O)N1CCOCC1)NCCc1cscn1.
What is the InChIKey of 3-morpholin-4-ylsulfonyl-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide?
The InChIKey is FWFUFDVBMHZYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S2/c16-12(13-3-1-11-9-20-10-14-11)2-8-21(17,18)15-4-6-19-7-5-15/h9-10H,1-8H2,(H,13,16).
What are the key properties of 3-morpholin-4-ylsulfonyl-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide?
3-morpholin-4-ylsulfonyl-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide has a molecular weight of 333.44 g/mol, XLogP of -0.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylsulfonyl-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 110305020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).