N-[4-(aminomethyl)oxan-4-yl]-2-methoxyethanesulfonamide

C9H20N2O4S — CID 106297737

IUPACN-[4-(aminomethyl)oxan-4-yl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NC1(CN)CCOCC1
InChIInChI=1S/C9H20N2O4S/c1-14-6-7-16(12,13)11-9(8-10)2-4-15-5-3-9/h11H,2-8,10H2,1H3
InChIKeyXCQDURUYTXSSTO-UHFFFAOYSA-N
MW252.34 g/mol
LogP-0.94
Rot. Bonds6

About N-[4-(aminomethyl)oxan-4-yl]-2-methoxyethanesulfonamide

N-[4-(aminomethyl)oxan-4-yl]-2-methoxyethanesulfonamide (PubChem CID 106297737) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]-2-methoxyethanesulfonamide
PubChem CID106297737
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NC1(CN)CCOCC1
InChIInChI=1S/C9H20N2O4S/c1-14-6-7-16(12,13)11-9(8-10)2-4-15-5-3-9/h11H,2-8,10H2,1H3
InChIKeyXCQDURUYTXSSTO-UHFFFAOYSA-N
XLogP-0.94
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(aminomethyl)oxan-4-yl]-4,4,4-trifluorobutane-1-sulfonamide
CID 106297743
(R)-N-[(3R,4R)-3-amino-4-methyloxan-4-yl]-2-methylpropane-2-sulfinamide
CID 121422085
(S)-N-[(3R,4R)-3-amino-4-methyloxan-4-yl]-2-methylpropane-2-sulfinamide
CID 163824145
N-[3-(aminomethyl)pentan-3-yl]-N-ethyloxane-4-sulfonamide
CID 55031390
N-[3-(aminomethyl)pentan-3-yl]-2-methoxyethanesulfonamide
CID 61608687
N-[1-(aminomethyl)cyclopentyl]oxane-4-sulfonamide
CID 62047875
N-(1-amino-2-methylpropan-2-yl)oxane-4-sulfonamide
CID 62048060
N-[3-(aminomethyl)pentan-3-yl]oxane-4-sulfonamide
CID 62048062
N-(1-aminobutan-2-yl)oxane-4-sulfonamide
CID 62048244
N-(1-amino-2-methylbutan-2-yl)oxane-4-sulfonamide
CID 62048246
N-[3-(aminomethyl)pentan-3-yl]-N-methyloxane-4-sulfonamide
CID 62049929
N-[3-(aminomethyl)pentan-3-yl]-N-propyloxane-4-sulfonamide
CID 62050110

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-2-methoxyethanesulfonamide?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-2-methoxyethanesulfonamide (CID 106297737) is N-[4-(aminomethyl)oxan-4-yl]-2-methoxyethanesulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]-2-methoxyethanesulfonamide?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]-2-methoxyethanesulfonamide is COCCS(=O)(=O)NC1(CN)CCOCC1.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]-2-methoxyethanesulfonamide?
The InChIKey is XCQDURUYTXSSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-14-6-7-16(12,13)11-9(8-10)2-4-15-5-3-9/h11H,2-8,10H2,1H3.
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]-2-methoxyethanesulfonamide?
N-[4-(aminomethyl)oxan-4-yl]-2-methoxyethanesulfonamide has a molecular weight of 252.34 g/mol, XLogP of -0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)oxan-4-yl]-2-methoxyethanesulfonamide is sourced from PubChem (CID 106297737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).