N-[3-(hydroxymethyl)oxetan-3-yl]methanesulfonamide

C5H11NO4S — CID 145182589

IUPACN-[3-(hydroxymethyl)oxetan-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1(CO)COC1
InChIInChI=1S/C5H11NO4S/c1-11(8,9)6-5(2-7)3-10-4-5/h6-7H,2-4H2,1H3
InChIKeyKNIOGCDKBAOZDZ-UHFFFAOYSA-N
MW181.21 g/mol
LogP-1.70
Rot. Bonds3

About N-[3-(hydroxymethyl)oxetan-3-yl]methanesulfonamide

N-[3-(hydroxymethyl)oxetan-3-yl]methanesulfonamide (PubChem CID 145182589) has the molecular formula C5H11NO4S and a molecular weight of 181.21 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)oxetan-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)oxetan-3-yl]methanesulfonamide
PubChem CID145182589
Molecular FormulaC5H11NO4S
Molecular Weight181.21 g/mol
Exact Mass181.04
IUPAC NameN-[3-(hydroxymethyl)oxetan-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1(CO)COC1
InChIInChI=1S/C5H11NO4S/c1-11(8,9)6-5(2-7)3-10-4-5/h6-7H,2-4H2,1H3
InChIKeyKNIOGCDKBAOZDZ-UHFFFAOYSA-N
XLogP-1.70
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 5-1.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)oxetan-3-yl]methanesulfonamide?
The IUPAC name of N-[3-(hydroxymethyl)oxetan-3-yl]methanesulfonamide (CID 145182589) is N-[3-(hydroxymethyl)oxetan-3-yl]methanesulfonamide.
What is the SMILES notation for N-[3-(hydroxymethyl)oxetan-3-yl]methanesulfonamide?
The canonical SMILES for N-[3-(hydroxymethyl)oxetan-3-yl]methanesulfonamide is CS(=O)(=O)NC1(CO)COC1.
What is the InChIKey of N-[3-(hydroxymethyl)oxetan-3-yl]methanesulfonamide?
The InChIKey is KNIOGCDKBAOZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4S/c1-11(8,9)6-5(2-7)3-10-4-5/h6-7H,2-4H2,1H3.
What are the key properties of N-[3-(hydroxymethyl)oxetan-3-yl]methanesulfonamide?
N-[3-(hydroxymethyl)oxetan-3-yl]methanesulfonamide has a molecular weight of 181.21 g/mol, XLogP of -1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)oxetan-3-yl]methanesulfonamide is sourced from PubChem (CID 145182589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).