N-[4-(dimethylamino)oxan-3-yl]-N-methylmethanesulfonamide

C9H20N2O3S — CID 70883074

IUPACN-[4-(dimethylamino)oxan-3-yl]-N-methylmethanesulfonamide
SMILESCN(C)C1CCOCC1N(C)S(C)(=O)=O
InChIInChI=1S/C9H20N2O3S/c1-10(2)8-5-6-14-7-9(8)11(3)15(4,12)13/h8-9H,5-7H2,1-4H3
InChIKeyHWMBWAFHLMTQFN-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.40
Rot. Bonds3

About N-[4-(dimethylamino)oxan-3-yl]-N-methylmethanesulfonamide

N-[4-(dimethylamino)oxan-3-yl]-N-methylmethanesulfonamide (PubChem CID 70883074) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[4-(dimethylamino)oxan-3-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)oxan-3-yl]-N-methylmethanesulfonamide
PubChem CID70883074
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-[4-(dimethylamino)oxan-3-yl]-N-methylmethanesulfonamide
SMILESCN(C)C1CCOCC1N(C)S(C)(=O)=O
InChIInChI=1S/C9H20N2O3S/c1-10(2)8-5-6-14-7-9(8)11(3)15(4,12)13/h8-9H,5-7H2,1-4H3
InChIKeyHWMBWAFHLMTQFN-UHFFFAOYSA-N
XLogP-0.40
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-N,4-N,4-N-trimethyl-3-N-(methyl-methylidene-oxo-lambda6-sulfanyl)oxane-3,4-diamine
CID 58035322
N-methyl-N-[(4-propan-2-ylmorpholin-3-yl)methyl]methanesulfonamide
CID 70811613
N-[4-(methylamino)oxan-3-yl]methanesulfonamide
CID 70883137
N-[4-(dimethylamino)oxan-3-yl]methanesulfonamide
CID 70883138
N-methyl-N-[4-(methylamino)oxan-3-yl]methanesulfonamide
CID 70883139
N-[(4-butan-2-ylmorpholin-3-yl)methyl]-N-methylmethanesulfonamide
CID 70939931
N-[(4-butan-2-ylmorpholin-3-yl)methyl]-N-ethylmethanesulfonamide
CID 70939956
N-[4-(iodoamino)oxan-3-yl]-N-methylmethanesulfonamide
CID 117796591
N-methyl-N-(oxan-3-yl)ethanesulfonamide
CID 131155078
N-[4-[amino(methyl)amino]oxan-3-yl]-N-methylmethanesulfonamide
CID 154472090
N-butan-2-yl-N-(2-morpholin-4-ylethyl)methanesulfonamide
CID 163569070
3-(4-Methylsulfonylpiperazin-1-yl)oxan-4-amine
CID 55134483

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)oxan-3-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[4-(dimethylamino)oxan-3-yl]-N-methylmethanesulfonamide (CID 70883074) is N-[4-(dimethylamino)oxan-3-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[4-(dimethylamino)oxan-3-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[4-(dimethylamino)oxan-3-yl]-N-methylmethanesulfonamide is CN(C)C1CCOCC1N(C)S(C)(=O)=O.
What is the InChIKey of N-[4-(dimethylamino)oxan-3-yl]-N-methylmethanesulfonamide?
The InChIKey is HWMBWAFHLMTQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-10(2)8-5-6-14-7-9(8)11(3)15(4,12)13/h8-9H,5-7H2,1-4H3.
What are the key properties of N-[4-(dimethylamino)oxan-3-yl]-N-methylmethanesulfonamide?
N-[4-(dimethylamino)oxan-3-yl]-N-methylmethanesulfonamide has a molecular weight of 236.34 g/mol, XLogP of -0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)oxan-3-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 70883074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).