N-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)propane-1-sulfonamide

C9H17NO5S — CID 73133421

IUPACN-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1COC2C(O)COC12
InChIInChI=1S/C9H17NO5S/c1-2-3-16(12,13)10-6-4-14-9-7(11)5-15-8(6)9/h6-11H,2-5H2,1H3
InChIKeyFSGVCQGHOCOMBK-UHFFFAOYSA-N
MW251.30 g/mol
LogP-1.16
Rot. Bonds4

About N-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)propane-1-sulfonamide

N-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)propane-1-sulfonamide (PubChem CID 73133421) has the molecular formula C9H17NO5S and a molecular weight of 251.30 g/mol. Its IUPAC name is N-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)propane-1-sulfonamide
PubChem CID73133421
Molecular FormulaC9H17NO5S
Molecular Weight251.30 g/mol
Exact Mass251.08
IUPAC NameN-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1COC2C(O)COC12
InChIInChI=1S/C9H17NO5S/c1-2-3-16(12,13)10-6-4-14-9-7(11)5-15-8(6)9/h6-11H,2-5H2,1H3
InChIKeyFSGVCQGHOCOMBK-UHFFFAOYSA-N
XLogP-1.16
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)propane-1-sulfonamide?
The IUPAC name of N-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)propane-1-sulfonamide (CID 73133421) is N-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)propane-1-sulfonamide.
What is the SMILES notation for N-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)propane-1-sulfonamide?
The canonical SMILES for N-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)propane-1-sulfonamide is CCCS(=O)(=O)NC1COC2C(O)COC12.
What is the InChIKey of N-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)propane-1-sulfonamide?
The InChIKey is FSGVCQGHOCOMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5S/c1-2-3-16(12,13)10-6-4-14-9-7(11)5-15-8(6)9/h6-11H,2-5H2,1H3.
What are the key properties of N-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)propane-1-sulfonamide?
N-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)propane-1-sulfonamide has a molecular weight of 251.30 g/mol, XLogP of -1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)propane-1-sulfonamide is sourced from PubChem (CID 73133421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).