(3S,4S)-1,1-dioxo-4-(propylamino)thiolan-3-ol

C7H15NO3S — CID 7138714

IUPAC(3S,4S)-1,1-dioxo-4-(propylamino)thiolan-3-ol
SMILESCCCN[C@@H]1CS(=O)(=O)C[C@H]1O
InChIInChI=1S/C7H15NO3S/c1-2-3-8-6-4-12(10,11)5-7(6)9/h6-9H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyUSKDSTKQCUZVGP-RNFRBKRXSA-N
MW193.27 g/mol
LogP-0.86
Rot. Bonds3

About (3S,4S)-1,1-dioxo-4-(propylamino)thiolan-3-ol

(3S,4S)-1,1-dioxo-4-(propylamino)thiolan-3-ol (PubChem CID 7138714) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is (3S,4S)-1,1-dioxo-4-(propylamino)thiolan-3-ol.

Molecular Properties

Compound Name(3S,4S)-1,1-dioxo-4-(propylamino)thiolan-3-ol
PubChem CID7138714
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name(3S,4S)-1,1-dioxo-4-(propylamino)thiolan-3-ol
SMILESCCCN[C@@H]1CS(=O)(=O)C[C@H]1O
InChIInChI=1S/C7H15NO3S/c1-2-3-8-6-4-12(10,11)5-7(6)9/h6-9H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyUSKDSTKQCUZVGP-RNFRBKRXSA-N
XLogP-0.86
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S,4S)-1,1-dioxo-4-(propylamino)thiolan-3-ol with MolForge

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Related Compounds

4-(ethylamino)-1,1-dioxothiolan-3-ol
CID 6484129
(3S,4S)-4-(2-methoxyethylamino)-1,1-dioxothiolan-3-ol
CID 6347761
(3R,4S)-4-[2-(dimethylamino)ethylamino]-1,1-dioxothiolan-3-ol
CID 1383919
N-[2-[[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]ethyl]propanamide
CID 99975555
(3S,4S)-4-(3-hydroxypropylamino)-1,1-dioxothiolan-3-ol
CID 6347765
N-[2-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]ethyl]methanesulfonamide
CID 60884251
methyl 3-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]propanoate
CID 60719747
4-(3-methylsulfanylpropylamino)-1,1-dioxothiolan-3-ol
CID 63966904
4-(2,2-dimethylpropylamino)-1,1-dioxothiolan-3-ol
CID 61166838
(3R,4R)-4-(2-methylpropylamino)-1,1-dioxothiolan-3-ol
CID 1239637
3-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]propyl-dimethylazanium chloride
CID 44657176
(3R,4R)-1,1-dioxo-4-(prop-2-ynylamino)thiolan-3-ol
CID 51889343

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1,1-dioxo-4-(propylamino)thiolan-3-ol?
The IUPAC name of (3S,4S)-1,1-dioxo-4-(propylamino)thiolan-3-ol (CID 7138714) is (3S,4S)-1,1-dioxo-4-(propylamino)thiolan-3-ol.
What is the SMILES notation for (3S,4S)-1,1-dioxo-4-(propylamino)thiolan-3-ol?
The canonical SMILES for (3S,4S)-1,1-dioxo-4-(propylamino)thiolan-3-ol is CCCN[C@@H]1CS(=O)(=O)C[C@H]1O.
What is the InChIKey of (3S,4S)-1,1-dioxo-4-(propylamino)thiolan-3-ol?
The InChIKey is USKDSTKQCUZVGP-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-2-3-8-6-4-12(10,11)5-7(6)9/h6-9H,2-5H2,1H3/t6-,7-/m1/s1.
What are the key properties of (3S,4S)-1,1-dioxo-4-(propylamino)thiolan-3-ol?
(3S,4S)-1,1-dioxo-4-(propylamino)thiolan-3-ol has a molecular weight of 193.27 g/mol, XLogP of -0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1,1-dioxo-4-(propylamino)thiolan-3-ol is sourced from PubChem (CID 7138714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).