N,N-diethyloxane-4-sulfonamide

C9H19NO3S — CID 63081887

IUPACN,N-diethyloxane-4-sulfonamide
SMILESCCN(CC)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C9H19NO3S/c1-3-10(4-2)14(11,12)9-5-7-13-8-6-9/h9H,3-8H2,1-2H3
InChIKeyHXSGIVIIINWURH-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.84
Rot. Bonds4

About N,N-diethyloxane-4-sulfonamide

N,N-diethyloxane-4-sulfonamide (PubChem CID 63081887) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is N,N-diethyloxane-4-sulfonamide.

Molecular Properties

Compound NameN,N-diethyloxane-4-sulfonamide
PubChem CID63081887
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC NameN,N-diethyloxane-4-sulfonamide
SMILESCCN(CC)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C9H19NO3S/c1-3-10(4-2)14(11,12)9-5-7-13-8-6-9/h9H,3-8H2,1-2H3
InChIKeyHXSGIVIIINWURH-UHFFFAOYSA-N
XLogP0.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Butylsulfonyl)morpholine
CID 6465074
N,N-dimethyl-1-(oxan-4-yl)methanesulfonamide
CID 71997842
1-(1-Methoxypropan-2-ylsulfonyl)piperidine
CID 132282815
1-Hexylsulfonyl-2-propoxypiperidine
CID 20718901
2-Ethoxy-1-pentylsulfonylpiperidine
CID 20718913
N-(oxan-4-yl)-N-propan-2-ylmethanesulfonamide
CID 21034325
1-(2-Methoxyethylsulfonyl)piperidine
CID 61694005
1-(Oxan-4-ylsulfonyl)piperidine
CID 63081544
N,N-dimethyltetrahydro-2H-pyran-4-sulfonamide
CID 63082567
1-Methyl-4-(oxan-4-ylsulfonyl)piperazine
CID 63239741
4-Pentan-3-ylsulfonylmorpholine
CID 68081615
N-methyl-N-(oxan-4-yl)cyclopropanesulfonamide
CID 70819457

Frequently Asked Questions

What is the IUPAC name of N,N-diethyloxane-4-sulfonamide?
The IUPAC name of N,N-diethyloxane-4-sulfonamide (CID 63081887) is N,N-diethyloxane-4-sulfonamide.
What is the SMILES notation for N,N-diethyloxane-4-sulfonamide?
The canonical SMILES for N,N-diethyloxane-4-sulfonamide is CCN(CC)S(=O)(=O)C1CCOCC1.
What is the InChIKey of N,N-diethyloxane-4-sulfonamide?
The InChIKey is HXSGIVIIINWURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-3-10(4-2)14(11,12)9-5-7-13-8-6-9/h9H,3-8H2,1-2H3.
What are the key properties of N,N-diethyloxane-4-sulfonamide?
N,N-diethyloxane-4-sulfonamide has a molecular weight of 221.32 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyloxane-4-sulfonamide is sourced from PubChem (CID 63081887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).