N-(4-hydroxybutan-2-yl)-2-methoxyethanesulfonamide

C7H17NO4S — CID 78998841

IUPACN-(4-hydroxybutan-2-yl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NC(C)CCO
InChIInChI=1S/C7H17NO4S/c1-7(3-4-9)8-13(10,11)6-5-12-2/h7-9H,3-6H2,1-2H3
InChIKeyNONYHFQENXHYHM-UHFFFAOYSA-N
MW211.28 g/mol
LogP-0.68
Rot. Bonds7

About N-(4-hydroxybutan-2-yl)-2-methoxyethanesulfonamide

N-(4-hydroxybutan-2-yl)-2-methoxyethanesulfonamide (PubChem CID 78998841) has the molecular formula C7H17NO4S and a molecular weight of 211.28 g/mol. Its IUPAC name is N-(4-hydroxybutan-2-yl)-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxybutan-2-yl)-2-methoxyethanesulfonamide
PubChem CID78998841
Molecular FormulaC7H17NO4S
Molecular Weight211.28 g/mol
Exact Mass211.09
IUPAC NameN-(4-hydroxybutan-2-yl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NC(C)CCO
InChIInChI=1S/C7H17NO4S/c1-7(3-4-9)8-13(10,11)6-5-12-2/h7-9H,3-6H2,1-2H3
InChIKeyNONYHFQENXHYHM-UHFFFAOYSA-N
XLogP-0.68
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutan-2-yl)-2-methoxyethanesulfonamide?
The IUPAC name of N-(4-hydroxybutan-2-yl)-2-methoxyethanesulfonamide (CID 78998841) is N-(4-hydroxybutan-2-yl)-2-methoxyethanesulfonamide.
What is the SMILES notation for N-(4-hydroxybutan-2-yl)-2-methoxyethanesulfonamide?
The canonical SMILES for N-(4-hydroxybutan-2-yl)-2-methoxyethanesulfonamide is COCCS(=O)(=O)NC(C)CCO.
What is the InChIKey of N-(4-hydroxybutan-2-yl)-2-methoxyethanesulfonamide?
The InChIKey is NONYHFQENXHYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO4S/c1-7(3-4-9)8-13(10,11)6-5-12-2/h7-9H,3-6H2,1-2H3.
What are the key properties of N-(4-hydroxybutan-2-yl)-2-methoxyethanesulfonamide?
N-(4-hydroxybutan-2-yl)-2-methoxyethanesulfonamide has a molecular weight of 211.28 g/mol, XLogP of -0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutan-2-yl)-2-methoxyethanesulfonamide is sourced from PubChem (CID 78998841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).