(2S,3R,4S)-2,3-dimethyl-5-oxo-4-(sulfinoamino)oxolane

C6H11NO4S — CID 89334107

IUPAC(2S,3R,4S)-2,3-dimethyl-5-oxo-4-(sulfinoamino)oxolane
SMILESC[C@H]1[C@H](C)OC(=O)[C@H]1NS(=O)O
InChIInChI=1S/C6H11NO4S/c1-3-4(2)11-6(8)5(3)7-12(9)10/h3-5,7H,1-2H3,(H,9,10)/t3-,4-,5-/m0/s1
InChIKeySLOGCBQAJZIOPD-YUPRTTJUSA-N
MW193.22 g/mol
LogP-0.34
Rot. Bonds2

About (2S,3R,4S)-2,3-dimethyl-5-oxo-4-(sulfinoamino)oxolane

(2S,3R,4S)-2,3-dimethyl-5-oxo-4-(sulfinoamino)oxolane (PubChem CID 89334107) has the molecular formula C6H11NO4S and a molecular weight of 193.22 g/mol. Its IUPAC name is (2S,3R,4S)-2,3-dimethyl-5-oxo-4-(sulfinoamino)oxolane.

Molecular Properties

Compound Name(2S,3R,4S)-2,3-dimethyl-5-oxo-4-(sulfinoamino)oxolane
PubChem CID89334107
Molecular FormulaC6H11NO4S
Molecular Weight193.22 g/mol
Exact Mass193.04
IUPAC Name(2S,3R,4S)-2,3-dimethyl-5-oxo-4-(sulfinoamino)oxolane
SMILESC[C@H]1[C@H](C)OC(=O)[C@H]1NS(=O)O
InChIInChI=1S/C6H11NO4S/c1-3-4(2)11-6(8)5(3)7-12(9)10/h3-5,7H,1-2H3,(H,9,10)/t3-,4-,5-/m0/s1
InChIKeySLOGCBQAJZIOPD-YUPRTTJUSA-N
XLogP-0.34
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

N-[(3S,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]formamide
CID 89219311
(3S,4R,5R)-3-hydroxy-4,5-dimethyloxolan-2-one
CID 130927474
(3R,4R,5R,6R)-4-hydroxy-3,5,6-trimethyloxan-2-one
CID 58594793
N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-methyl-2-oxooxan-3-yl]acetamide
CID 42627356
(3R,4S,5S)-3-amino-4,5-dimethyloxolan-2-one;(3R,4S,5R)-3-amino-4,5-dimethyloxolan-2-one;(3R,4R,5S)-3-amino-4,5-dimethyloxolan-2-one;(3R,4R,5R)-3-amino-4,5-dimethyloxolan-2-one
CID 161481341
(3S,4R,6R)-4,6-dihydroxy-3,7-dimethyloxepan-2-one
CID 91061020
(3R,5S)-3,4,5-trihydroxy-6-methyloxan-2-one
CID 90338107
(3S,4S)-3,4-dimethyloxetan-2-one
CID 12501630
(3S,6S)-5-hydroxy-3,6-dimethyl-1,4-dioxan-2-one
CID 129171742
(9E,12Z)-N-[(3S,4S,5R)-4,5-dimethyl-2-oxooxolan-3-yl]octadeca-9,12-dienamide
CID 135163844
(2R)-1-methyl-2-(sulfinoamino)cyclopropane
CID 89197525
(4S,5R,6R)-3,5-diamino-4-hydroxy-6-methyloxan-2-one
CID 163587675

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S)-2,3-dimethyl-5-oxo-4-(sulfinoamino)oxolane?
The IUPAC name of (2S,3R,4S)-2,3-dimethyl-5-oxo-4-(sulfinoamino)oxolane (CID 89334107) is (2S,3R,4S)-2,3-dimethyl-5-oxo-4-(sulfinoamino)oxolane.
What is the SMILES notation for (2S,3R,4S)-2,3-dimethyl-5-oxo-4-(sulfinoamino)oxolane?
The canonical SMILES for (2S,3R,4S)-2,3-dimethyl-5-oxo-4-(sulfinoamino)oxolane is C[C@H]1[C@H](C)OC(=O)[C@H]1NS(=O)O.
What is the InChIKey of (2S,3R,4S)-2,3-dimethyl-5-oxo-4-(sulfinoamino)oxolane?
The InChIKey is SLOGCBQAJZIOPD-YUPRTTJUSA-N. The full InChI is InChI=1S/C6H11NO4S/c1-3-4(2)11-6(8)5(3)7-12(9)10/h3-5,7H,1-2H3,(H,9,10)/t3-,4-,5-/m0/s1.
What are the key properties of (2S,3R,4S)-2,3-dimethyl-5-oxo-4-(sulfinoamino)oxolane?
(2S,3R,4S)-2,3-dimethyl-5-oxo-4-(sulfinoamino)oxolane has a molecular weight of 193.22 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-2,3-dimethyl-5-oxo-4-(sulfinoamino)oxolane is sourced from PubChem (CID 89334107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).