N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methylmethanesulfonamide

C9H20N2O3S — CID 166979044

IUPACN-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methylmethanesulfonamide
SMILESCN(CC1(CN)CCOCC1)S(C)(=O)=O
InChIInChI=1S/C9H20N2O3S/c1-11(15(2,12)13)8-9(7-10)3-5-14-6-4-9/h3-8,10H2,1-2H3
InChIKeyPIQVRHLZOSKWLB-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.37
Rot. Bonds4

About N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methylmethanesulfonamide

N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methylmethanesulfonamide (PubChem CID 166979044) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methylmethanesulfonamide
PubChem CID166979044
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methylmethanesulfonamide
SMILESCN(CC1(CN)CCOCC1)S(C)(=O)=O
InChIInChI=1S/C9H20N2O3S/c1-11(15(2,12)13)8-9(7-10)3-5-14-6-4-9/h3-8,10H2,1-2H3
InChIKeyPIQVRHLZOSKWLB-UHFFFAOYSA-N
XLogP-0.37
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methylmethanesulfonamide (CID 166979044) is N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methylmethanesulfonamide is CN(CC1(CN)CCOCC1)S(C)(=O)=O.
What is the InChIKey of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methylmethanesulfonamide?
The InChIKey is PIQVRHLZOSKWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-11(15(2,12)13)8-9(7-10)3-5-14-6-4-9/h3-8,10H2,1-2H3.
What are the key properties of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methylmethanesulfonamide?
N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methylmethanesulfonamide has a molecular weight of 236.34 g/mol, XLogP of -0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 166979044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).