(3S,4S)-4-[2-(furan-2-yl)ethylamino]-1,1-dioxothiolan-3-ol

C10H15NO4S — CID 42344850

IUPAC(3S,4S)-4-[2-(furan-2-yl)ethylamino]-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)C[C@@H](O)[C@H](NCCc2ccco2)C1
InChIInChI=1S/C10H15NO4S/c12-10-7-16(13,14)6-9(10)11-4-3-8-2-1-5-15-8/h1-2,5,9-12H,3-4,6-7H2/t9-,10-/m1/s1
InChIKeyKPEFFIAJZCHOSO-NXEZZACHSA-N
MW245.30 g/mol
LogP-0.43
Rot. Bonds4

About (3S,4S)-4-[2-(furan-2-yl)ethylamino]-1,1-dioxothiolan-3-ol

(3S,4S)-4-[2-(furan-2-yl)ethylamino]-1,1-dioxothiolan-3-ol (PubChem CID 42344850) has the molecular formula C10H15NO4S and a molecular weight of 245.30 g/mol. Its IUPAC name is (3S,4S)-4-[2-(furan-2-yl)ethylamino]-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-[2-(furan-2-yl)ethylamino]-1,1-dioxothiolan-3-ol
PubChem CID42344850
Molecular FormulaC10H15NO4S
Molecular Weight245.30 g/mol
Exact Mass245.07
IUPAC Name(3S,4S)-4-[2-(furan-2-yl)ethylamino]-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)C[C@@H](O)[C@H](NCCc2ccco2)C1
InChIInChI=1S/C10H15NO4S/c12-10-7-16(13,14)6-9(10)11-4-3-8-2-1-5-15-8/h1-2,5,9-12H,3-4,6-7H2/t9-,10-/m1/s1
InChIKeyKPEFFIAJZCHOSO-NXEZZACHSA-N
XLogP-0.43
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(furan-2-ylmethylamino)-1,1-dioxothiolan-3-ol;hydrochloride
CID 18558678
1,1-dioxo-4-(2-thiophen-3-ylethylamino)thiolan-3-ol
CID 61474115
N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 64757656
(3S,4S)-1,1-dioxo-4-(propylamino)thiolan-3-ol
CID 7138714
(3S,4S)-4-(3-hydroxypropylamino)-1,1-dioxothiolan-3-ol
CID 6347765
N-[(3S,4R)-4-(furan-2-ylmethylamino)-1,1-dioxothiolan-3-yl]benzamide
CID 1415423
N-[2-(furan-2-yl)ethyl]-2-methylthiolan-3-amine
CID 102671359
2-[(1,1-dioxothiolan-3-yl)methyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111354873
2-[2-(furan-2-yl)ethylamino]cyclopentane-1-carbonitrile
CID 62741692
N-[2-(furan-2-yl)ethyl]-2-methylthian-3-amine
CID 79957454
4-(1,2-oxazol-5-ylmethylamino)-1,1-dioxothiolan-3-ol
CID 106418044
4-(ethylamino)-1,1-dioxothiolan-3-ol
CID 6484129

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[2-(furan-2-yl)ethylamino]-1,1-dioxothiolan-3-ol?
The IUPAC name of (3S,4S)-4-[2-(furan-2-yl)ethylamino]-1,1-dioxothiolan-3-ol (CID 42344850) is (3S,4S)-4-[2-(furan-2-yl)ethylamino]-1,1-dioxothiolan-3-ol.
What is the SMILES notation for (3S,4S)-4-[2-(furan-2-yl)ethylamino]-1,1-dioxothiolan-3-ol?
The canonical SMILES for (3S,4S)-4-[2-(furan-2-yl)ethylamino]-1,1-dioxothiolan-3-ol is O=S1(=O)C[C@@H](O)[C@H](NCCc2ccco2)C1.
What is the InChIKey of (3S,4S)-4-[2-(furan-2-yl)ethylamino]-1,1-dioxothiolan-3-ol?
The InChIKey is KPEFFIAJZCHOSO-NXEZZACHSA-N. The full InChI is InChI=1S/C10H15NO4S/c12-10-7-16(13,14)6-9(10)11-4-3-8-2-1-5-15-8/h1-2,5,9-12H,3-4,6-7H2/t9-,10-/m1/s1.
What are the key properties of (3S,4S)-4-[2-(furan-2-yl)ethylamino]-1,1-dioxothiolan-3-ol?
(3S,4S)-4-[2-(furan-2-yl)ethylamino]-1,1-dioxothiolan-3-ol has a molecular weight of 245.30 g/mol, XLogP of -0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-[2-(furan-2-yl)ethylamino]-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 42344850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).