N-[dihydroxy(methyl)-λ4-sulfanyl]-2,2-dimethoxyethanamine

C5H15NO4S — CID 143635206

IUPACN-[dihydroxy(methyl)-λ4-sulfanyl]-2,2-dimethoxyethanamine
SMILESCOC(CNS(C)(O)O)OC
InChIInChI=1S/C5H15NO4S/c1-9-5(10-2)4-6-11(3,7)8/h5-8H,4H2,1-3H3
InChIKeyXADQGRGZXPHBGB-UHFFFAOYSA-N
MW185.24 g/mol
LogP0.49
Rot. Bonds5

About N-[dihydroxy(methyl)-λ4-sulfanyl]-2,2-dimethoxyethanamine

N-[dihydroxy(methyl)-λ4-sulfanyl]-2,2-dimethoxyethanamine (PubChem CID 143635206) has the molecular formula C5H15NO4S and a molecular weight of 185.24 g/mol. Its IUPAC name is N-[dihydroxy(methyl)-λ4-sulfanyl]-2,2-dimethoxyethanamine.

Molecular Properties

Compound NameN-[dihydroxy(methyl)-λ4-sulfanyl]-2,2-dimethoxyethanamine
PubChem CID143635206
Molecular FormulaC5H15NO4S
Molecular Weight185.24 g/mol
Exact Mass185.07
IUPAC NameN-[dihydroxy(methyl)-λ4-sulfanyl]-2,2-dimethoxyethanamine
SMILESCOC(CNS(C)(O)O)OC
InChIInChI=1S/C5H15NO4S/c1-9-5(10-2)4-6-11(3,7)8/h5-8H,4H2,1-3H3
InChIKeyXADQGRGZXPHBGB-UHFFFAOYSA-N
XLogP0.49
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl N-(2,2-dimethoxyethylsulfamoyl)carbamate
CID 114463719
2,2-dimethoxyethylcarbamic acid
CID 18938836
N-[3-(2,2-dimethoxyethylamino)propyl]methanesulfonamide
CID 106332723
N'-(2,2-dimethoxyethyl)-N-(5-hydroxypentyl)oxamide
CID 108525813
N-(2,2-dimethoxyethyl)-3-methylbutane-1-sulfonamide
CID 63856064
3-(2,2-dimethoxyethyl)-1,1-dimethylurea
CID 79153179
N'-(2,2-dimethoxyethyl)-N-ethyloxamide
CID 44997787
N-(2,2-dimethoxyethyl)dodecan-1-amine
CID 10308222
1-cyclopropyl-N-(2,2-dimethoxyethyl)methanesulfonamide
CID 64987276
3-[2,2-dimethoxyethylsulfamoyl(methyl)amino]propanoic acid
CID 79548328
N-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine
CID 123866040
(2R)-2-amino-N-(2,2-dimethoxyethyl)propanamide
CID 78973572

Frequently Asked Questions

What is the IUPAC name of N-[dihydroxy(methyl)-λ4-sulfanyl]-2,2-dimethoxyethanamine?
The IUPAC name of N-[dihydroxy(methyl)-λ4-sulfanyl]-2,2-dimethoxyethanamine (CID 143635206) is N-[dihydroxy(methyl)-λ4-sulfanyl]-2,2-dimethoxyethanamine.
What is the SMILES notation for N-[dihydroxy(methyl)-λ4-sulfanyl]-2,2-dimethoxyethanamine?
The canonical SMILES for N-[dihydroxy(methyl)-λ4-sulfanyl]-2,2-dimethoxyethanamine is COC(CNS(C)(O)O)OC.
What is the InChIKey of N-[dihydroxy(methyl)-λ4-sulfanyl]-2,2-dimethoxyethanamine?
The InChIKey is XADQGRGZXPHBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15NO4S/c1-9-5(10-2)4-6-11(3,7)8/h5-8H,4H2,1-3H3.
What are the key properties of N-[dihydroxy(methyl)-λ4-sulfanyl]-2,2-dimethoxyethanamine?
N-[dihydroxy(methyl)-λ4-sulfanyl]-2,2-dimethoxyethanamine has a molecular weight of 185.24 g/mol, XLogP of 0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dihydroxy(methyl)-λ4-sulfanyl]-2,2-dimethoxyethanamine is sourced from PubChem (CID 143635206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).