2-amino-1-ethylsulfonylethanol

C4H11NO3S — CID 117037412

IUPAC2-amino-1-ethylsulfonylethanol
SMILESCCS(=O)(=O)C(O)CN
InChIInChI=1S/C4H11NO3S/c1-2-9(7,8)4(6)3-5/h4,6H,2-3,5H2,1H3
InChIKeyNBNJFQHQHQRXNV-UHFFFAOYSA-N
MW153.20 g/mol
LogP-1.30
Rot. Bonds3

About 2-amino-1-ethylsulfonylethanol

2-amino-1-ethylsulfonylethanol (PubChem CID 117037412) has the molecular formula C4H11NO3S and a molecular weight of 153.20 g/mol. Its IUPAC name is 2-amino-1-ethylsulfonylethanol.

Molecular Properties

Compound Name2-amino-1-ethylsulfonylethanol
PubChem CID117037412
Molecular FormulaC4H11NO3S
Molecular Weight153.20 g/mol
Exact Mass153.05
IUPAC Name2-amino-1-ethylsulfonylethanol
SMILESCCS(=O)(=O)C(O)CN
InChIInChI=1S/C4H11NO3S/c1-2-9(7,8)4(6)3-5/h4,6H,2-3,5H2,1H3
InChIKeyNBNJFQHQHQRXNV-UHFFFAOYSA-N
XLogP-1.30
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

sodium;2-amino-1-hydroxyethanesulfonic acid;hydride
CID 175556811
2-ethylsulfonyl-2-methoxyethanamine
CID 57318629
3-ethylsulfonyl-2-methylpropan-1-amine
CID 64698202
2,2-bis(ethylsulfonyl)acetamide
CID 57211118
2-amino-1-(2,4,6-trimethylphenyl)sulfonylethanol
CID 117037386
1-chloro-1-ethylsulfonylpropan-2-ol
CID 102550019
2-amino-2-ethylsulfonylacetamide
CID 154362595
4-amino-2-ethylsulfonylbutanoic acid
CID 64694447
azane;ethanamine;sulfuric acid
CID 173214245
1-butylsulfonylethanol
CID 57246479
2-propylsulfonylpropan-1-amine
CID 64697615
1-amino-4-propylsulfonylbutan-2-ol
CID 106734192

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-ethylsulfonylethanol?
The IUPAC name of 2-amino-1-ethylsulfonylethanol (CID 117037412) is 2-amino-1-ethylsulfonylethanol.
What is the SMILES notation for 2-amino-1-ethylsulfonylethanol?
The canonical SMILES for 2-amino-1-ethylsulfonylethanol is CCS(=O)(=O)C(O)CN.
What is the InChIKey of 2-amino-1-ethylsulfonylethanol?
The InChIKey is NBNJFQHQHQRXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3S/c1-2-9(7,8)4(6)3-5/h4,6H,2-3,5H2,1H3.
What are the key properties of 2-amino-1-ethylsulfonylethanol?
2-amino-1-ethylsulfonylethanol has a molecular weight of 153.20 g/mol, XLogP of -1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-ethylsulfonylethanol is sourced from PubChem (CID 117037412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).