[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-(furan-3-yl)methanol

C10H15NO4S — CID 115338536

IUPAC[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-(furan-3-yl)methanol
SMILESNCC1(C(O)c2ccoc2)CCS(=O)(=O)C1
InChIInChI=1S/C10H15NO4S/c11-6-10(2-4-16(13,14)7-10)9(12)8-1-3-15-5-8/h1,3,5,9,12H,2,4,6-7,11H2
InChIKeyCXKQUFNEUJGJRP-UHFFFAOYSA-N
MW245.30 g/mol
LogP0.08
Rot. Bonds3

About [3-(aminomethyl)-1,1-dioxothiolan-3-yl]-(furan-3-yl)methanol

[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-(furan-3-yl)methanol (PubChem CID 115338536) has the molecular formula C10H15NO4S and a molecular weight of 245.30 g/mol. Its IUPAC name is [3-(aminomethyl)-1,1-dioxothiolan-3-yl]-(furan-3-yl)methanol.

Molecular Properties

Compound Name[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-(furan-3-yl)methanol
PubChem CID115338536
Molecular FormulaC10H15NO4S
Molecular Weight245.30 g/mol
Exact Mass245.07
IUPAC Name[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-(furan-3-yl)methanol
SMILESNCC1(C(O)c2ccoc2)CCS(=O)(=O)C1
InChIInChI=1S/C10H15NO4S/c11-6-10(2-4-16(13,14)7-10)9(12)8-1-3-15-5-8/h1,3,5,9,12H,2,4,6-7,11H2
InChIKeyCXKQUFNEUJGJRP-UHFFFAOYSA-N
XLogP0.08
TPSA93.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-1,1-dioxothiolan-3-yl]-(furan-3-yl)methanol?
The IUPAC name of [3-(aminomethyl)-1,1-dioxothiolan-3-yl]-(furan-3-yl)methanol (CID 115338536) is [3-(aminomethyl)-1,1-dioxothiolan-3-yl]-(furan-3-yl)methanol.
What is the SMILES notation for [3-(aminomethyl)-1,1-dioxothiolan-3-yl]-(furan-3-yl)methanol?
The canonical SMILES for [3-(aminomethyl)-1,1-dioxothiolan-3-yl]-(furan-3-yl)methanol is NCC1(C(O)c2ccoc2)CCS(=O)(=O)C1.
What is the InChIKey of [3-(aminomethyl)-1,1-dioxothiolan-3-yl]-(furan-3-yl)methanol?
The InChIKey is CXKQUFNEUJGJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S/c11-6-10(2-4-16(13,14)7-10)9(12)8-1-3-15-5-8/h1,3,5,9,12H,2,4,6-7,11H2.
What are the key properties of [3-(aminomethyl)-1,1-dioxothiolan-3-yl]-(furan-3-yl)methanol?
[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-(furan-3-yl)methanol has a molecular weight of 245.30 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-1,1-dioxothiolan-3-yl]-(furan-3-yl)methanol is sourced from PubChem (CID 115338536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).