(1R,2S,3S)-1-(3-nitroso-1,3-thiazolidin-2-yl)butane-1,2,3,4-tetrol

C7H14N2O5S — CID 121494104

IUPAC(1R,2S,3S)-1-(3-nitroso-1,3-thiazolidin-2-yl)butane-1,2,3,4-tetrol
SMILESO=NN1CCSC1[C@H](O)[C@@H](O)[C@@H](O)CO
InChIInChI=1S/C7H14N2O5S/c10-3-4(11)5(12)6(13)7-9(8-14)1-2-15-7/h4-7,10-13H,1-3H2/t4-,5-,6+,7?/m0/s1
InChIKeyCPLRXCSJNHIVBJ-VNEOENNNSA-N
MW238.26 g/mol
LogP-1.88
Rot. Bonds5

About (1R,2S,3S)-1-(3-nitroso-1,3-thiazolidin-2-yl)butane-1,2,3,4-tetrol

(1R,2S,3S)-1-(3-nitroso-1,3-thiazolidin-2-yl)butane-1,2,3,4-tetrol (PubChem CID 121494104) has the molecular formula C7H14N2O5S and a molecular weight of 238.26 g/mol. Its IUPAC name is (1R,2S,3S)-1-(3-nitroso-1,3-thiazolidin-2-yl)butane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(1R,2S,3S)-1-(3-nitroso-1,3-thiazolidin-2-yl)butane-1,2,3,4-tetrol
PubChem CID121494104
Molecular FormulaC7H14N2O5S
Molecular Weight238.26 g/mol
Exact Mass238.06
IUPAC Name(1R,2S,3S)-1-(3-nitroso-1,3-thiazolidin-2-yl)butane-1,2,3,4-tetrol
SMILESO=NN1CCSC1[C@H](O)[C@@H](O)[C@@H](O)CO
InChIInChI=1S/C7H14N2O5S/c10-3-4(11)5(12)6(13)7-9(8-14)1-2-15-7/h4-7,10-13H,1-3H2/t4-,5-,6+,7?/m0/s1
InChIKeyCPLRXCSJNHIVBJ-VNEOENNNSA-N
XLogP-1.88
TPSA113.59 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 5-1.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(1R,2R,3R)-1-(1,3-thiazolidin-2-yl)butane-1,2,3,4-tetrol
CID 101134454
(1S,2R,3R)-1-[(2R)-1,3-thiazolidin-2-yl]butane-1,2,3,4-tetrol
CID 10398173
(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 135394797
(2S,4S)-pentane-1,2,3,4,5-pentol
CID 139064085
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362
(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 87912891
(3R,6S)-6-(1,2,3,4-tetrahydroxybutyl)-3,6-dihydro-2H-1,4-thiazine-3-carboxylic acid
CID 163725948
pentane-1,2,3,4,5-pentol;dihydrochloride
CID 175842943
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;iron
CID 173421469
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;methane
CID 155195650
(3R,5R,6R)-heptane-1,2,3,4,5,6,7-heptol
CID 87483282
(1S,2R,3R,4R)-1-[(2S)-1,3-thiazolidin-2-yl]pentane-1,2,3,4,5-pentol
CID 7187937

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S)-1-(3-nitroso-1,3-thiazolidin-2-yl)butane-1,2,3,4-tetrol?
The IUPAC name of (1R,2S,3S)-1-(3-nitroso-1,3-thiazolidin-2-yl)butane-1,2,3,4-tetrol (CID 121494104) is (1R,2S,3S)-1-(3-nitroso-1,3-thiazolidin-2-yl)butane-1,2,3,4-tetrol.
What is the SMILES notation for (1R,2S,3S)-1-(3-nitroso-1,3-thiazolidin-2-yl)butane-1,2,3,4-tetrol?
The canonical SMILES for (1R,2S,3S)-1-(3-nitroso-1,3-thiazolidin-2-yl)butane-1,2,3,4-tetrol is O=NN1CCSC1[C@H](O)[C@@H](O)[C@@H](O)CO.
What is the InChIKey of (1R,2S,3S)-1-(3-nitroso-1,3-thiazolidin-2-yl)butane-1,2,3,4-tetrol?
The InChIKey is CPLRXCSJNHIVBJ-VNEOENNNSA-N. The full InChI is InChI=1S/C7H14N2O5S/c10-3-4(11)5(12)6(13)7-9(8-14)1-2-15-7/h4-7,10-13H,1-3H2/t4-,5-,6+,7?/m0/s1.
What are the key properties of (1R,2S,3S)-1-(3-nitroso-1,3-thiazolidin-2-yl)butane-1,2,3,4-tetrol?
(1R,2S,3S)-1-(3-nitroso-1,3-thiazolidin-2-yl)butane-1,2,3,4-tetrol has a molecular weight of 238.26 g/mol, XLogP of -1.88, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S)-1-(3-nitroso-1,3-thiazolidin-2-yl)butane-1,2,3,4-tetrol is sourced from PubChem (CID 121494104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).