(3S,4R)-4-(methylsulfamoylamino)oxolan-3-ol

C5H12N2O4S — CID 130671824

IUPAC(3S,4R)-4-(methylsulfamoylamino)oxolan-3-ol
SMILESCNS(=O)(=O)N[C@@H]1COC[C@H]1O
InChIInChI=1S/C5H12N2O4S/c1-6-12(9,10)7-4-2-11-3-5(4)8/h4-8H,2-3H2,1H3/t4-,5-/m1/s1
InChIKeyPIPWMAIDWJDHSB-RFZPGFLSSA-N
MW196.23 g/mol
LogP-2.20
Rot. Bonds3

About (3S,4R)-4-(methylsulfamoylamino)oxolan-3-ol

(3S,4R)-4-(methylsulfamoylamino)oxolan-3-ol (PubChem CID 130671824) has the molecular formula C5H12N2O4S and a molecular weight of 196.23 g/mol. Its IUPAC name is (3S,4R)-4-(methylsulfamoylamino)oxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-(methylsulfamoylamino)oxolan-3-ol
PubChem CID130671824
Molecular FormulaC5H12N2O4S
Molecular Weight196.23 g/mol
Exact Mass196.05
IUPAC Name(3S,4R)-4-(methylsulfamoylamino)oxolan-3-ol
SMILESCNS(=O)(=O)N[C@@H]1COC[C@H]1O
InChIInChI=1S/C5H12N2O4S/c1-6-12(9,10)7-4-2-11-3-5(4)8/h4-8H,2-3H2,1H3/t4-,5-/m1/s1
InChIKeyPIPWMAIDWJDHSB-RFZPGFLSSA-N
XLogP-2.20
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 5-2.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R)-4-[(methylsulfonimidoyl)amino]oxolan-3-ol
CID 164648322
N-[(3R,4S)-4-hydroxyoxolan-3-yl]cyclopropanesulfonamide
CID 130638996
(3R,4R)-4-(methylamino)oxolan-3-ol
CID 73357418
2-(methylsulfamoylamino)cycloheptan-1-ol
CID 114809764
N-[(3R,4R)-4-hydroxyoxolan-3-yl]acetamide
CID 124600665
N-[(3S,4R)-4-hydroxyoxolan-3-yl]acetamide
CID 55300518
4-chloro-N-(4-hydroxyoxolan-3-yl)-2,5-dimethylbenzenesulfonamide
CID 156608191
4-[(2-methyl-2-methylsulfonylpropyl)amino]oxolan-3-ol
CID 79552094
(3S,4S)-4-(propan-2-ylamino)oxolan-3-ol
CID 93383484
N-(4-hydroxyoxolan-3-yl)formamide
CID 127001792
N-(methylsulfamoyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 127002266
2-[[(3R,4S)-4-hydroxyoxolan-3-yl]amino]-N-methylpropanamide
CID 131209286

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(methylsulfamoylamino)oxolan-3-ol?
The IUPAC name of (3S,4R)-4-(methylsulfamoylamino)oxolan-3-ol (CID 130671824) is (3S,4R)-4-(methylsulfamoylamino)oxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-(methylsulfamoylamino)oxolan-3-ol?
The canonical SMILES for (3S,4R)-4-(methylsulfamoylamino)oxolan-3-ol is CNS(=O)(=O)N[C@@H]1COC[C@H]1O.
What is the InChIKey of (3S,4R)-4-(methylsulfamoylamino)oxolan-3-ol?
The InChIKey is PIPWMAIDWJDHSB-RFZPGFLSSA-N. The full InChI is InChI=1S/C5H12N2O4S/c1-6-12(9,10)7-4-2-11-3-5(4)8/h4-8H,2-3H2,1H3/t4-,5-/m1/s1.
What are the key properties of (3S,4R)-4-(methylsulfamoylamino)oxolan-3-ol?
(3S,4R)-4-(methylsulfamoylamino)oxolan-3-ol has a molecular weight of 196.23 g/mol, XLogP of -2.20, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(methylsulfamoylamino)oxolan-3-ol is sourced from PubChem (CID 130671824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).