(3S,4S)-4-amino-1,1-dioxothiolan-3-ol

C4H9NO3S — CID 7059054

IUPAC(3S,4S)-4-amino-1,1-dioxothiolan-3-ol
SMILESN[C@@H]1CS(=O)(=O)C[C@H]1O
InChIInChI=1S/C4H9NO3S/c5-3-1-9(7,8)2-4(3)6/h3-4,6H,1-2,5H2/t3-,4-/m1/s1
InChIKeyREXPOWCRPFUCHS-QWWZWVQMSA-N
MW151.19 g/mol
LogP-1.90
Rot. Bonds

About (3S,4S)-4-amino-1,1-dioxothiolan-3-ol

(3S,4S)-4-amino-1,1-dioxothiolan-3-ol (PubChem CID 7059054) has the molecular formula C4H9NO3S and a molecular weight of 151.19 g/mol. Its IUPAC name is (3S,4S)-4-amino-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-amino-1,1-dioxothiolan-3-ol
PubChem CID7059054
Molecular FormulaC4H9NO3S
Molecular Weight151.19 g/mol
Exact Mass151.03
IUPAC Name(3S,4S)-4-amino-1,1-dioxothiolan-3-ol
SMILESN[C@@H]1CS(=O)(=O)C[C@H]1O
InChIInChI=1S/C4H9NO3S/c5-3-1-9(7,8)2-4(3)6/h3-4,6H,1-2,5H2/t3-,4-/m1/s1
InChIKeyREXPOWCRPFUCHS-QWWZWVQMSA-N
XLogP-1.90
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 5-1.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-amino-1,1-dioxothiolan-3-ol?
The IUPAC name of (3S,4S)-4-amino-1,1-dioxothiolan-3-ol (CID 7059054) is (3S,4S)-4-amino-1,1-dioxothiolan-3-ol.
What is the SMILES notation for (3S,4S)-4-amino-1,1-dioxothiolan-3-ol?
The canonical SMILES for (3S,4S)-4-amino-1,1-dioxothiolan-3-ol is N[C@@H]1CS(=O)(=O)C[C@H]1O.
What is the InChIKey of (3S,4S)-4-amino-1,1-dioxothiolan-3-ol?
The InChIKey is REXPOWCRPFUCHS-QWWZWVQMSA-N. The full InChI is InChI=1S/C4H9NO3S/c5-3-1-9(7,8)2-4(3)6/h3-4,6H,1-2,5H2/t3-,4-/m1/s1.
What are the key properties of (3S,4S)-4-amino-1,1-dioxothiolan-3-ol?
(3S,4S)-4-amino-1,1-dioxothiolan-3-ol has a molecular weight of 151.19 g/mol, XLogP of -1.90, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-amino-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 7059054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).