N-(4-hydroxyoxolan-3-yl)ethanesulfinamide

C6H13NO3S — CID 130671359

IUPACN-(4-hydroxyoxolan-3-yl)ethanesulfinamide
SMILESCCS(=O)NC1COCC1O
InChIInChI=1S/C6H13NO3S/c1-2-11(9)7-5-3-10-4-6(5)8/h5-8H,2-4H2,1H3
InChIKeyYSZZJUTZFVLMEU-UHFFFAOYSA-N
MW179.24 g/mol
LogP-0.98
Rot. Bonds3

About N-(4-hydroxyoxolan-3-yl)ethanesulfinamide

N-(4-hydroxyoxolan-3-yl)ethanesulfinamide (PubChem CID 130671359) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is N-(4-hydroxyoxolan-3-yl)ethanesulfinamide.

Molecular Properties

Compound NameN-(4-hydroxyoxolan-3-yl)ethanesulfinamide
PubChem CID130671359
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC NameN-(4-hydroxyoxolan-3-yl)ethanesulfinamide
SMILESCCS(=O)NC1COCC1O
InChIInChI=1S/C6H13NO3S/c1-2-11(9)7-5-3-10-4-6(5)8/h5-8H,2-4H2,1H3
InChIKeyYSZZJUTZFVLMEU-UHFFFAOYSA-N
XLogP-0.98
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2-methylpropane-2-sulfonamide
CID 11593774
N-(4-hydroxytetrahydrofuran-3-yl)propane-2-sulfonamide
CID 67196244
N-[(3S,4R)-4-hydroxyoxolan-3-yl]propane-2-sulfonamide
CID 67196245
trans-N-(4-hydroxytetrahydrofuran-3-yl)propane-2-sulfonamide
CID 67196247
N-(4-hydroxyoxolan-3-yl)-2-methylpropane-2-sulfonamide
CID 73023191
4-(2-Methylsulfinylethylamino)oxolan-3-ol
CID 116145261
N-(4-hydroxyoxolan-3-yl)cyclopropanesulfonamide
CID 126991299
N-[(3R,4S)-4-hydroxyoxolan-3-yl]cyclopropanesulfonamide
CID 130638996
N-(4-hydroxyoxolan-3-yl)methanesulfinamide
CID 130680333
N-(4-hydroxyoxolan-3-yl)ethanesulfonamide
CID 130686140
N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfinamide
CID 130690732
N-(4-hydroxyoxolan-3-yl)methanesulfonamide
CID 130719110

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyoxolan-3-yl)ethanesulfinamide?
The IUPAC name of N-(4-hydroxyoxolan-3-yl)ethanesulfinamide (CID 130671359) is N-(4-hydroxyoxolan-3-yl)ethanesulfinamide.
What is the SMILES notation for N-(4-hydroxyoxolan-3-yl)ethanesulfinamide?
The canonical SMILES for N-(4-hydroxyoxolan-3-yl)ethanesulfinamide is CCS(=O)NC1COCC1O.
What is the InChIKey of N-(4-hydroxyoxolan-3-yl)ethanesulfinamide?
The InChIKey is YSZZJUTZFVLMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-2-11(9)7-5-3-10-4-6(5)8/h5-8H,2-4H2,1H3.
What are the key properties of N-(4-hydroxyoxolan-3-yl)ethanesulfinamide?
N-(4-hydroxyoxolan-3-yl)ethanesulfinamide has a molecular weight of 179.24 g/mol, XLogP of -0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyoxolan-3-yl)ethanesulfinamide is sourced from PubChem (CID 130671359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).