2-(oxolan-2-ylmethylsulfonylamino)acetic acid

C7H13NO5S — CID 63246701

IUPAC2-(oxolan-2-ylmethylsulfonylamino)acetic acid
SMILESO=C(O)CNS(=O)(=O)CC1CCCO1
InChIInChI=1S/C7H13NO5S/c9-7(10)4-8-14(11,12)5-6-2-1-3-13-6/h6,8H,1-5H2,(H,9,10)
InChIKeyDGEVPHPILJBQMT-UHFFFAOYSA-N
MW223.25 g/mol
LogP-0.83
Rot. Bonds5

About 2-(oxolan-2-ylmethylsulfonylamino)acetic acid

2-(oxolan-2-ylmethylsulfonylamino)acetic acid (PubChem CID 63246701) has the molecular formula C7H13NO5S and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylsulfonylamino)acetic acid.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylsulfonylamino)acetic acid
PubChem CID63246701
Molecular FormulaC7H13NO5S
Molecular Weight223.25 g/mol
Exact Mass223.05
IUPAC Name2-(oxolan-2-ylmethylsulfonylamino)acetic acid
SMILESO=C(O)CNS(=O)(=O)CC1CCCO1
InChIInChI=1S/C7H13NO5S/c9-7(10)4-8-14(11,12)5-6-2-1-3-13-6/h6,8H,1-5H2,(H,9,10)
InChIKeyDGEVPHPILJBQMT-UHFFFAOYSA-N
XLogP-0.83
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxypropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63247384
methyl 3-(oxolan-2-ylmethylsulfonylamino)propanoate
CID 62733314
2-(oxolan-2-ylmethylsulfamoyl)acetic acid
CID 43209527
N-(2-aminoethyl)-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 119960022
N-[(1-hydroxycyclopentyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 65113198
(2R)-2-(oxolan-2-ylmethylsulfonylamino)propanoic acid
CID 78927442
N-(3-hydroxy-2,2-dimethylpropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 115363119
N-[2-(methylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 119972933
N-[3-(methylamino)propyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63246513
N-[(4-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 106126336
N-(2-ethylbutyl)-1-(oxolan-2-yl)methanesulfonamide
CID 115613323
N-(4-aminobutyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246284

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylsulfonylamino)acetic acid?
The IUPAC name of 2-(oxolan-2-ylmethylsulfonylamino)acetic acid (CID 63246701) is 2-(oxolan-2-ylmethylsulfonylamino)acetic acid.
What is the SMILES notation for 2-(oxolan-2-ylmethylsulfonylamino)acetic acid?
The canonical SMILES for 2-(oxolan-2-ylmethylsulfonylamino)acetic acid is O=C(O)CNS(=O)(=O)CC1CCCO1.
What is the InChIKey of 2-(oxolan-2-ylmethylsulfonylamino)acetic acid?
The InChIKey is DGEVPHPILJBQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO5S/c9-7(10)4-8-14(11,12)5-6-2-1-3-13-6/h6,8H,1-5H2,(H,9,10).
What are the key properties of 2-(oxolan-2-ylmethylsulfonylamino)acetic acid?
2-(oxolan-2-ylmethylsulfonylamino)acetic acid has a molecular weight of 223.25 g/mol, XLogP of -0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylsulfonylamino)acetic acid is sourced from PubChem (CID 63246701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).