N-[4-(aminomethyl)oxan-4-yl]-1-(oxolan-2-yl)methanesulfonamide

C11H22N2O4S — CID 114170083

IUPACN-[4-(aminomethyl)oxan-4-yl]-1-(oxolan-2-yl)methanesulfonamide
SMILESNCC1(NS(=O)(=O)CC2CCCO2)CCOCC1
InChIInChI=1S/C11H22N2O4S/c12-9-11(3-6-16-7-4-11)13-18(14,15)8-10-2-1-5-17-10/h10,13H,1-9,12H2
InChIKeyYQWHUXTYXPQHCE-UHFFFAOYSA-N
MW278.37 g/mol
LogP-0.41
Rot. Bonds5

About N-[4-(aminomethyl)oxan-4-yl]-1-(oxolan-2-yl)methanesulfonamide

N-[4-(aminomethyl)oxan-4-yl]-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 114170083) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]-1-(oxolan-2-yl)methanesulfonamide
PubChem CID114170083
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]-1-(oxolan-2-yl)methanesulfonamide
SMILESNCC1(NS(=O)(=O)CC2CCCO2)CCOCC1
InChIInChI=1S/C11H22N2O4S/c12-9-11(3-6-16-7-4-11)13-18(14,15)8-10-2-1-5-17-10/h10,13H,1-9,12H2
InChIKeyYQWHUXTYXPQHCE-UHFFFAOYSA-N
XLogP-0.41
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(bromomethyl)cyclopentyl]-1-(oxolan-2-yl)methanesulfonamide
CID 114297170
N-[1-(hydroxymethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63247259
N-[1-(bromomethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide
CID 113271040
N-[(4-hydroxyoxan-4-yl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 81131179
N-[4-(aminomethyl)oxan-4-yl]-3-(oxolan-2-yl)propanamide
CID 106297142
N-(1-cyanocycloheptyl)-1-(oxolan-2-yl)methanesulfonamide
CID 55173729
N-(2-aminoethyl)-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 119960022
N-[1-(aminomethyl)cyclooctyl]-1-cyclopropylmethanesulfonamide
CID 64989622
N-[(1-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63247002
N-(4-aminobutyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246284
[4-(oxolan-2-yl)oxan-4-yl]methanamine
CID 165486804
N-[(1-aminocycloheptyl)methyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 119998562

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-1-(oxolan-2-yl)methanesulfonamide (CID 114170083) is N-[4-(aminomethyl)oxan-4-yl]-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]-1-(oxolan-2-yl)methanesulfonamide is NCC1(NS(=O)(=O)CC2CCCO2)CCOCC1.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is YQWHUXTYXPQHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c12-9-11(3-6-16-7-4-11)13-18(14,15)8-10-2-1-5-17-10/h10,13H,1-9,12H2.
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]-1-(oxolan-2-yl)methanesulfonamide?
N-[4-(aminomethyl)oxan-4-yl]-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 278.37 g/mol, XLogP of -0.41, 5 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]-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 114170083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).