2-methoxy-N-methylethanesulfonamide;molecular hydrogen

C4H13NO3S — CID 176928955

IUPAC2-methoxy-N-methylethanesulfonamide;molecular hydrogen
SMILESCNS(=O)(=O)CCOC.[H][H]
InChIInChI=1S/C4H11NO3S.H2/c1-5-9(6,7)4-3-8-2;/h5H,3-4H2,1-2H3;1H
InChIKeyHJCQOGJTTRDQGT-UHFFFAOYSA-N
MW155.22 g/mol
LogP-0.57
Rot. Bonds4

About 2-methoxy-N-methylethanesulfonamide;molecular hydrogen

2-methoxy-N-methylethanesulfonamide;molecular hydrogen (PubChem CID 176928955) has the molecular formula C4H13NO3S and a molecular weight of 155.22 g/mol. Its IUPAC name is 2-methoxy-N-methylethanesulfonamide;molecular hydrogen.

Molecular Properties

Compound Name2-methoxy-N-methylethanesulfonamide;molecular hydrogen
PubChem CID176928955
Molecular FormulaC4H13NO3S
Molecular Weight155.22 g/mol
Exact Mass155.06
IUPAC Name2-methoxy-N-methylethanesulfonamide;molecular hydrogen
SMILESCNS(=O)(=O)CCOC.[H][H]
InChIInChI=1S/C4H11NO3S.H2/c1-5-9(6,7)4-3-8-2;/h5H,3-4H2,1-2H3;1H
InChIKeyHJCQOGJTTRDQGT-UHFFFAOYSA-N
XLogP-0.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-methoxy-N-(4-methoxybutyl)ethanesulfonamide
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N-[(2R)-1-hydroxypropan-2-yl]-2-methoxyethanesulfonamide
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N-(1-bromopropan-2-yl)-2-methoxyethanesulfonamide
CID 114294443
2-(2-methoxyethylsulfonyl)-N-methylethanamine
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N-(1-chloro-4-methylpentan-2-yl)-2-methoxyethanesulfonamide
CID 65030939
2-methoxy-N-(2-methoxypropyl)ethanesulfonamide
CID 102697513
2-methoxyethanesulfonyl chloride
CID 13480221
N-(4-hydroxybutan-2-yl)-2-methoxyethanesulfonamide
CID 78998841
N-[(E)-4-chlorobut-2-enyl]-2-methoxyethanesulfonamide
CID 81429777
(2-methoxyethylsulfonylamino)thiourea
CID 65214468

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methylethanesulfonamide;molecular hydrogen?
The IUPAC name of 2-methoxy-N-methylethanesulfonamide;molecular hydrogen (CID 176928955) is 2-methoxy-N-methylethanesulfonamide;molecular hydrogen.
What is the SMILES notation for 2-methoxy-N-methylethanesulfonamide;molecular hydrogen?
The canonical SMILES for 2-methoxy-N-methylethanesulfonamide;molecular hydrogen is CNS(=O)(=O)CCOC.[H][H].
What is the InChIKey of 2-methoxy-N-methylethanesulfonamide;molecular hydrogen?
The InChIKey is HJCQOGJTTRDQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3S.H2/c1-5-9(6,7)4-3-8-2;/h5H,3-4H2,1-2H3;1H.
What are the key properties of 2-methoxy-N-methylethanesulfonamide;molecular hydrogen?
2-methoxy-N-methylethanesulfonamide;molecular hydrogen has a molecular weight of 155.22 g/mol, XLogP of -0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methylethanesulfonamide;molecular hydrogen is sourced from PubChem (CID 176928955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).