1-[(1,1-dioxothian-3-yl)amino]-3-(furan-2-ylmethoxy)propan-2-ol

C13H21NO5S — CID 63922347

IUPAC1-[(1,1-dioxothian-3-yl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
SMILESO=S1(=O)CCCC(NCC(O)COCc2ccco2)C1
InChIInChI=1S/C13H21NO5S/c15-12(8-18-9-13-4-1-5-19-13)7-14-11-3-2-6-20(16,17)10-11/h1,4-5,11-12,14-15H,2-3,6-10H2
InChIKeyUPRBQCUVFLIKRB-UHFFFAOYSA-N
MW303.38 g/mol
LogP0.32
Rot. Bonds7

About 1-[(1,1-dioxothian-3-yl)amino]-3-(furan-2-ylmethoxy)propan-2-ol

1-[(1,1-dioxothian-3-yl)amino]-3-(furan-2-ylmethoxy)propan-2-ol (PubChem CID 63922347) has the molecular formula C13H21NO5S and a molecular weight of 303.38 g/mol. Its IUPAC name is 1-[(1,1-dioxothian-3-yl)amino]-3-(furan-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(1,1-dioxothian-3-yl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
PubChem CID63922347
Molecular FormulaC13H21NO5S
Molecular Weight303.38 g/mol
Exact Mass303.11
IUPAC Name1-[(1,1-dioxothian-3-yl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
SMILESO=S1(=O)CCCC(NCC(O)COCc2ccco2)C1
InChIInChI=1S/C13H21NO5S/c15-12(8-18-9-13-4-1-5-19-13)7-14-11-3-2-6-20(16,17)10-11/h1,4-5,11-12,14-15H,2-3,6-10H2
InChIKeyUPRBQCUVFLIKRB-UHFFFAOYSA-N
XLogP0.32
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(1,1-dioxothian-3-yl)amino]-3-(furan-2-ylmethoxy)propan-2-ol with MolForge

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Related Compounds

1-(furan-2-ylmethoxy)-3-[(4-methylcyclohexyl)amino]propan-2-ol
CID 60633413
1-(furan-2-ylmethoxy)-3-[(1-methylpyrrolidin-3-yl)amino]propan-2-ol
CID 54949730
1-[(1,1-dioxothian-3-yl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 63924316
(2S)-1-[(2-chlorophenyl)methoxy]-3-[[(3R)-1,1-dioxothiolan-3-yl]amino]propan-2-ol
CID 2093688
(2R)-1-[(2-chlorophenyl)methoxy]-3-[[(3R)-1,1-dioxothiolan-3-yl]amino]propan-2-ol
CID 2093686
1-(furan-2-ylmethoxy)-3-[(2-methylcyclopropyl)amino]propan-2-ol
CID 62397757
1-[[(1S)-1-cycloheptylethyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 81388401
1-(furan-2-ylmethoxy)-3-[(2-methyloxolan-3-yl)amino]propan-2-ol
CID 82726496
(2S)-1-(furan-2-ylmethoxy)-3-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-2-ol
CID 95751108
1-(2-butoxyethoxy)-3-[(1,1-dioxothian-3-yl)amino]propan-2-ol
CID 63922339
1-(furan-2-ylmethoxy)-3-(methylamino)propan-2-ol
CID 2771927
(2S)-1-(furan-2-ylmethoxy)-3-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-2-ol
CID 95345327

Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-dioxothian-3-yl)amino]-3-(furan-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-[(1,1-dioxothian-3-yl)amino]-3-(furan-2-ylmethoxy)propan-2-ol (CID 63922347) is 1-[(1,1-dioxothian-3-yl)amino]-3-(furan-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-[(1,1-dioxothian-3-yl)amino]-3-(furan-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-[(1,1-dioxothian-3-yl)amino]-3-(furan-2-ylmethoxy)propan-2-ol is O=S1(=O)CCCC(NCC(O)COCc2ccco2)C1.
What is the InChIKey of 1-[(1,1-dioxothian-3-yl)amino]-3-(furan-2-ylmethoxy)propan-2-ol?
The InChIKey is UPRBQCUVFLIKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5S/c15-12(8-18-9-13-4-1-5-19-13)7-14-11-3-2-6-20(16,17)10-11/h1,4-5,11-12,14-15H,2-3,6-10H2.
What are the key properties of 1-[(1,1-dioxothian-3-yl)amino]-3-(furan-2-ylmethoxy)propan-2-ol?
1-[(1,1-dioxothian-3-yl)amino]-3-(furan-2-ylmethoxy)propan-2-ol has a molecular weight of 303.38 g/mol, XLogP of 0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,1-dioxothian-3-yl)amino]-3-(furan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 63922347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).