2-amino-1-methoxy-N,N-dimethylethanesulfonamide

C5H14N2O3S — CID 57002533

IUPAC2-amino-1-methoxy-N,N-dimethylethanesulfonamide
SMILESCOC(CN)S(=O)(=O)N(C)C
InChIInChI=1S/C5H14N2O3S/c1-7(2)11(8,9)5(4-6)10-3/h5H,4,6H2,1-3H3
InChIKeyNTBGHCVCFQSWIC-UHFFFAOYSA-N
MW182.24 g/mol
LogP-1.19
Rot. Bonds4

About 2-amino-1-methoxy-N,N-dimethylethanesulfonamide

2-amino-1-methoxy-N,N-dimethylethanesulfonamide (PubChem CID 57002533) has the molecular formula C5H14N2O3S and a molecular weight of 182.24 g/mol. Its IUPAC name is 2-amino-1-methoxy-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-amino-1-methoxy-N,N-dimethylethanesulfonamide
PubChem CID57002533
Molecular FormulaC5H14N2O3S
Molecular Weight182.24 g/mol
Exact Mass182.07
IUPAC Name2-amino-1-methoxy-N,N-dimethylethanesulfonamide
SMILESCOC(CN)S(=O)(=O)N(C)C
InChIInChI=1S/C5H14N2O3S/c1-7(2)11(8,9)5(4-6)10-3/h5H,4,6H2,1-3H3
InChIKeyNTBGHCVCFQSWIC-UHFFFAOYSA-N
XLogP-1.19
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 5-1.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-methoxy-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-amino-1-methoxy-N,N-dimethylethanesulfonamide (CID 57002533) is 2-amino-1-methoxy-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-amino-1-methoxy-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-amino-1-methoxy-N,N-dimethylethanesulfonamide is COC(CN)S(=O)(=O)N(C)C.
What is the InChIKey of 2-amino-1-methoxy-N,N-dimethylethanesulfonamide?
The InChIKey is NTBGHCVCFQSWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O3S/c1-7(2)11(8,9)5(4-6)10-3/h5H,4,6H2,1-3H3.
What are the key properties of 2-amino-1-methoxy-N,N-dimethylethanesulfonamide?
2-amino-1-methoxy-N,N-dimethylethanesulfonamide has a molecular weight of 182.24 g/mol, XLogP of -1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-methoxy-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 57002533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).