(3S,4R)-4-[[(2S)-2-hydroxypropyl]amino]-1,1-dioxothiolan-3-ol

C7H15NO4S — CID 124709547

IUPAC(3S,4R)-4-[[(2S)-2-hydroxypropyl]amino]-1,1-dioxothiolan-3-ol
SMILESC[C@H](O)CN[C@H]1CS(=O)(=O)C[C@H]1O
InChIInChI=1S/C7H15NO4S/c1-5(9)2-8-6-3-13(11,12)4-7(6)10/h5-10H,2-4H2,1H3/t5-,6-,7+/m0/s1
InChIKeyLSKAUACCFJKYAD-LYFYHCNISA-N
MW209.27 g/mol
LogP-1.89
Rot. Bonds3

About (3S,4R)-4-[[(2S)-2-hydroxypropyl]amino]-1,1-dioxothiolan-3-ol

(3S,4R)-4-[[(2S)-2-hydroxypropyl]amino]-1,1-dioxothiolan-3-ol (PubChem CID 124709547) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is (3S,4R)-4-[[(2S)-2-hydroxypropyl]amino]-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-[[(2S)-2-hydroxypropyl]amino]-1,1-dioxothiolan-3-ol
PubChem CID124709547
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Name(3S,4R)-4-[[(2S)-2-hydroxypropyl]amino]-1,1-dioxothiolan-3-ol
SMILESC[C@H](O)CN[C@H]1CS(=O)(=O)C[C@H]1O
InChIInChI=1S/C7H15NO4S/c1-5(9)2-8-6-3-13(11,12)4-7(6)10/h5-10H,2-4H2,1H3/t5-,6-,7+/m0/s1
InChIKeyLSKAUACCFJKYAD-LYFYHCNISA-N
XLogP-1.89
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-1.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3S,4R)-4-[[(2S)-2-hydroxypropyl]amino]-1,1-dioxothiolan-3-ol with MolForge

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Related Compounds

(3R,4R)-4-(2-methylpropylamino)-1,1-dioxothiolan-3-ol
CID 1239637
4-(ethylamino)-1,1-dioxothiolan-3-ol
CID 6484129
(3S,4S)-1,1-dioxo-4-(propylamino)thiolan-3-ol
CID 7138714
4-(2,2-dimethylpropylamino)-1,1-dioxothiolan-3-ol
CID 61166838
(3R,4S)-4-[2-(dimethylamino)ethylamino]-1,1-dioxothiolan-3-ol
CID 1383919
(3R,4R)-1,1-dioxo-4-(prop-2-ynylamino)thiolan-3-ol
CID 51889343
4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1,1-dioxothiolan-3-ol
CID 66174660
4-(2-methylprop-2-enylamino)-1,1-dioxothiolan-3-ol
CID 114616796
4-[(5-hydroxy-4-methylpentyl)amino]-1,1-dioxothiolan-3-ol
CID 106160353
2-[[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]acetic acid
CID 6354533
(3S,4S)-4-(2-methoxyethylamino)-1,1-dioxothiolan-3-ol
CID 6347761
4-[2-(4-hydroxy-1,1-dioxothiolan-3-yl)hydrazinyl]-1,1-dioxothiolan-3-ol
CID 3831220

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[[(2S)-2-hydroxypropyl]amino]-1,1-dioxothiolan-3-ol?
The IUPAC name of (3S,4R)-4-[[(2S)-2-hydroxypropyl]amino]-1,1-dioxothiolan-3-ol (CID 124709547) is (3S,4R)-4-[[(2S)-2-hydroxypropyl]amino]-1,1-dioxothiolan-3-ol.
What is the SMILES notation for (3S,4R)-4-[[(2S)-2-hydroxypropyl]amino]-1,1-dioxothiolan-3-ol?
The canonical SMILES for (3S,4R)-4-[[(2S)-2-hydroxypropyl]amino]-1,1-dioxothiolan-3-ol is C[C@H](O)CN[C@H]1CS(=O)(=O)C[C@H]1O.
What is the InChIKey of (3S,4R)-4-[[(2S)-2-hydroxypropyl]amino]-1,1-dioxothiolan-3-ol?
The InChIKey is LSKAUACCFJKYAD-LYFYHCNISA-N. The full InChI is InChI=1S/C7H15NO4S/c1-5(9)2-8-6-3-13(11,12)4-7(6)10/h5-10H,2-4H2,1H3/t5-,6-,7+/m0/s1.
What are the key properties of (3S,4R)-4-[[(2S)-2-hydroxypropyl]amino]-1,1-dioxothiolan-3-ol?
(3S,4R)-4-[[(2S)-2-hydroxypropyl]amino]-1,1-dioxothiolan-3-ol has a molecular weight of 209.27 g/mol, XLogP of -1.89, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[[(2S)-2-hydroxypropyl]amino]-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 124709547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).