N-(1,4-dioxan-2-ylmethyl)ethanesulfonamide

C7H15NO4S — CID 61063379

IUPACN-(1,4-dioxan-2-ylmethyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCC1COCCO1
InChIInChI=1S/C7H15NO4S/c1-2-13(9,10)8-5-7-6-11-3-4-12-7/h7-8H,2-6H2,1H3
InChIKeySXQXMRZVBDIRIT-UHFFFAOYSA-N
MW209.27 g/mol
LogP-0.66
Rot. Bonds4

About N-(1,4-dioxan-2-ylmethyl)ethanesulfonamide

N-(1,4-dioxan-2-ylmethyl)ethanesulfonamide (PubChem CID 61063379) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)ethanesulfonamide
PubChem CID61063379
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC NameN-(1,4-dioxan-2-ylmethyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCC1COCCO1
InChIInChI=1S/C7H15NO4S/c1-2-13(9,10)8-5-7-6-11-3-4-12-7/h7-8H,2-6H2,1H3
InChIKeySXQXMRZVBDIRIT-UHFFFAOYSA-N
XLogP-0.66
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,4-dioxan-2-ylmethyl)propane-2-sulfonamide
CID 61356040
1-[4-(aminomethyl)phenyl]-N-(1,4-dioxan-2-ylmethyl)methanesulfonamide
CID 61023167
4-(cyclopropylamino)-N-(1,4-dioxan-2-ylmethyl)butane-1-sulfonamide
CID 106016751
2-(1,4-dioxan-2-ylmethylsulfamoyl)propanoic acid
CID 61457773
N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 15422769
N-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)ethanamine
CID 12820576
5-amino-N-(1,4-dioxan-2-ylmethyl)-2,3-dimethylbenzenesulfonamide
CID 61024883
N-(1,4-dioxan-2-ylmethyl)-2-methylsulfonylethanamine
CID 61023583
N-(1,4-dioxan-2-ylmethyl)-4-(propylamino)benzenesulfonamide
CID 62146549
4-(1,4-dioxan-2-ylmethylsulfamoylmethyl)benzenecarbothioamide
CID 61023841
N-(1,4-dioxan-2-ylmethyl)-3-(ethylaminomethyl)benzenesulfonamide
CID 106016635
N-(1,4-dioxan-2-ylmethyl)-2-(ethylaminomethyl)benzenesulfonamide
CID 106016670

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)ethanesulfonamide?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)ethanesulfonamide (CID 61063379) is N-(1,4-dioxan-2-ylmethyl)ethanesulfonamide.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)ethanesulfonamide?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)ethanesulfonamide is CCS(=O)(=O)NCC1COCCO1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)ethanesulfonamide?
The InChIKey is SXQXMRZVBDIRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-2-13(9,10)8-5-7-6-11-3-4-12-7/h7-8H,2-6H2,1H3.
What are the key properties of N-(1,4-dioxan-2-ylmethyl)ethanesulfonamide?
N-(1,4-dioxan-2-ylmethyl)ethanesulfonamide has a molecular weight of 209.27 g/mol, XLogP of -0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 61063379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).