2,2-dihydroxy-5-[(sulfamoylamino)methyl]oxolane

C5H12N2O5S — CID 174832260

IUPAC2,2-dihydroxy-5-[(sulfamoylamino)methyl]oxolane
SMILESNS(=O)(=O)NCC1CCC(O)(O)O1
InChIInChI=1S/C5H12N2O5S/c6-13(10,11)7-3-4-1-2-5(8,9)12-4/h4,7-9H,1-3H2,(H2,6,10,11)
InChIKeyMNLURPRSVPLXQP-UHFFFAOYSA-N
MW212.23 g/mol
LogP-2.40
Rot. Bonds3

About 2,2-dihydroxy-5-[(sulfamoylamino)methyl]oxolane

2,2-dihydroxy-5-[(sulfamoylamino)methyl]oxolane (PubChem CID 174832260) has the molecular formula C5H12N2O5S and a molecular weight of 212.23 g/mol. Its IUPAC name is 2,2-dihydroxy-5-[(sulfamoylamino)methyl]oxolane.

Molecular Properties

Compound Name2,2-dihydroxy-5-[(sulfamoylamino)methyl]oxolane
PubChem CID174832260
Molecular FormulaC5H12N2O5S
Molecular Weight212.23 g/mol
Exact Mass212.05
IUPAC Name2,2-dihydroxy-5-[(sulfamoylamino)methyl]oxolane
SMILESNS(=O)(=O)NCC1CCC(O)(O)O1
InChIInChI=1S/C5H12N2O5S/c6-13(10,11)7-3-4-1-2-5(8,9)12-4/h4,7-9H,1-3H2,(H2,6,10,11)
InChIKeyMNLURPRSVPLXQP-UHFFFAOYSA-N
XLogP-2.40
TPSA121.88 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 5-2.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[(sulfamoylamino)methyl]oxolane
CID 68548773
1,1-dimethyl-4-[(sulfamoylamino)methyl]cyclohexane
CID 127671510
1-hydroxy-4-methyl-1-[(sulfamoylamino)methyl]cyclohexane
CID 112573807
N-[[(2S)-6,6-dimethyloxan-2-yl]methyl]methanesulfonamide
CID 159631931
1-hydroxy-2-[(sulfamoylamino)methyl]cyclopentane
CID 112695783
1-(hydroxymethyl)-2-[(sulfamoylamino)methyl]cyclopentane
CID 112573821
1-(aminomethyl)-4-[(sulfamoylamino)methyl]cyclohexane
CID 123446235
1-ethyl-4-[(sulfamoylamino)methyl]cyclohexane
CID 112687372
4-[(sulfamoylamino)methyl]piperidine
CID 24703134
3-hydroxy-2-methyl-3-[(sulfamoylamino)methyl]oxolane
CID 107268641
1-(aminomethyl)-2-[(sulfamoylamino)methyl]cyclohexane
CID 114959618
1-methyl-2-[(sulfamoylamino)methyl]cyclopropane
CID 115581735

Frequently Asked Questions

What is the IUPAC name of 2,2-dihydroxy-5-[(sulfamoylamino)methyl]oxolane?
The IUPAC name of 2,2-dihydroxy-5-[(sulfamoylamino)methyl]oxolane (CID 174832260) is 2,2-dihydroxy-5-[(sulfamoylamino)methyl]oxolane.
What is the SMILES notation for 2,2-dihydroxy-5-[(sulfamoylamino)methyl]oxolane?
The canonical SMILES for 2,2-dihydroxy-5-[(sulfamoylamino)methyl]oxolane is NS(=O)(=O)NCC1CCC(O)(O)O1.
What is the InChIKey of 2,2-dihydroxy-5-[(sulfamoylamino)methyl]oxolane?
The InChIKey is MNLURPRSVPLXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O5S/c6-13(10,11)7-3-4-1-2-5(8,9)12-4/h4,7-9H,1-3H2,(H2,6,10,11).
What are the key properties of 2,2-dihydroxy-5-[(sulfamoylamino)methyl]oxolane?
2,2-dihydroxy-5-[(sulfamoylamino)methyl]oxolane has a molecular weight of 212.23 g/mol, XLogP of -2.40, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dihydroxy-5-[(sulfamoylamino)methyl]oxolane is sourced from PubChem (CID 174832260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).