N-[[4-(methylamino)oxan-4-yl]methyl]ethanesulfonamide

C9H20N2O3S — CID 165457258

IUPACN-[[4-(methylamino)oxan-4-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1(NC)CCOCC1
InChIInChI=1S/C9H20N2O3S/c1-3-15(12,13)11-8-9(10-2)4-6-14-7-5-9/h10-11H,3-8H2,1-2H3
InChIKeyVAJHRDSARYVMHN-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.31
Rot. Bonds5

About N-[[4-(methylamino)oxan-4-yl]methyl]ethanesulfonamide

N-[[4-(methylamino)oxan-4-yl]methyl]ethanesulfonamide (PubChem CID 165457258) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[[4-(methylamino)oxan-4-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[4-(methylamino)oxan-4-yl]methyl]ethanesulfonamide
PubChem CID165457258
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-[[4-(methylamino)oxan-4-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1(NC)CCOCC1
InChIInChI=1S/C9H20N2O3S/c1-3-15(12,13)11-8-9(10-2)4-6-14-7-5-9/h10-11H,3-8H2,1-2H3
InChIKeyVAJHRDSARYVMHN-UHFFFAOYSA-N
XLogP-0.31
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-methyloxan-4-amine;hydrochloride
CID 72942834
2-(dimethylamino)-N-[[4-(methylamino)oxan-4-yl]methyl]acetamide
CID 165444740
N-[(4-hydroxyoxan-4-yl)methyl]-2,2-dimethylpropane-1-sulfonamide
CID 81131180
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]ethanesulfonamide
CID 114749822
4-[(butylsulfonylamino)methyl]oxane-4-carboxamide
CID 47372219
N-[4-(bromomethyl)oxan-4-yl]-1-methylsulfonylmethanesulfonamide
CID 106301308
ethyl 2-[4-(methylamino)oxepan-4-yl]acetate
CID 65236733
N-methyl-1-[4-(methylsulfonylmethyl)oxan-4-yl]methanamine
CID 139514127
N-[[1-(bromomethyl)cyclohexyl]methyl]ethanesulfonamide
CID 103969950
N-[4-(bromomethyl)oxan-4-yl]-2,2-dimethylpropane-1-sulfonamide
CID 106301330
N-methyl-4-(2-methylpentan-2-yl)oxan-4-amine
CID 166827931
N-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)acetamide
CID 166810198

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methylamino)oxan-4-yl]methyl]ethanesulfonamide?
The IUPAC name of N-[[4-(methylamino)oxan-4-yl]methyl]ethanesulfonamide (CID 165457258) is N-[[4-(methylamino)oxan-4-yl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[4-(methylamino)oxan-4-yl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[4-(methylamino)oxan-4-yl]methyl]ethanesulfonamide is CCS(=O)(=O)NCC1(NC)CCOCC1.
What is the InChIKey of N-[[4-(methylamino)oxan-4-yl]methyl]ethanesulfonamide?
The InChIKey is VAJHRDSARYVMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-3-15(12,13)11-8-9(10-2)4-6-14-7-5-9/h10-11H,3-8H2,1-2H3.
What are the key properties of N-[[4-(methylamino)oxan-4-yl]methyl]ethanesulfonamide?
N-[[4-(methylamino)oxan-4-yl]methyl]ethanesulfonamide has a molecular weight of 236.34 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methylamino)oxan-4-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 165457258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).