N-(2-aminoethyl)-2-(2-methoxyethylsulfinyl)acetamide

C7H16N2O3S — CID 81328464

IUPACN-(2-aminoethyl)-2-(2-methoxyethylsulfinyl)acetamide
SMILESCOCCS(=O)CC(=O)NCCN
InChIInChI=1S/C7H16N2O3S/c1-12-4-5-13(11)6-7(10)9-3-2-8/h2-6,8H2,1H3,(H,9,10)
InChIKeyUAEJUBSRKGAQOM-UHFFFAOYSA-N
MW208.28 g/mol
LogP-1.54
Rot. Bonds7

About N-(2-aminoethyl)-2-(2-methoxyethylsulfinyl)acetamide

N-(2-aminoethyl)-2-(2-methoxyethylsulfinyl)acetamide (PubChem CID 81328464) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(2-methoxyethylsulfinyl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(2-methoxyethylsulfinyl)acetamide
PubChem CID81328464
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC NameN-(2-aminoethyl)-2-(2-methoxyethylsulfinyl)acetamide
SMILESCOCCS(=O)CC(=O)NCCN
InChIInChI=1S/C7H16N2O3S/c1-12-4-5-13(11)6-7(10)9-3-2-8/h2-6,8H2,1H3,(H,9,10)
InChIKeyUAEJUBSRKGAQOM-UHFFFAOYSA-N
XLogP-1.54
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-1.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(3-methoxypropylamino)-2-oxoethyl]sulfinylpropanoic acid
CID 61486758
2-(3-amino-2-methylpropyl)sulfinyl-N-(2-methoxyethyl)acetamide
CID 81201126
N-(2-aminoethyl)-2-(cyclopentylmethylsulfinyl)acetamide
CID 81333288
N-(2-amino-5-chlorophenyl)-2-(2-methoxyethylsulfinyl)acetamide
CID 61287840
N-(3-aminophenyl)-2-(2-methoxyethylsulfinyl)acetamide
CID 61288850
N-(2-aminoethyl)-2-[4-(2-methoxyethyl)phenoxy]acetamide
CID 61207330
N-(2-aminoethyl)-N'-(4-methoxy-2,2-dimethylbutyl)oxamide
CID 114124548
2-amino-N-(2-aminoethyl)-4-methoxybutanamide
CID 62477473
3-amino-N-(3-methoxypropyl)propanamide;hydrochloride
CID 56832126
3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide
CID 115733671
1-(2,5-dimethylphenyl)-2-(2-methoxyethylsulfinyl)ethanone
CID 64639729
2-methoxyethyl N-[2-(2-methoxyethoxycarbonylamino)ethyl]carbamate
CID 118910846

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(2-methoxyethylsulfinyl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(2-methoxyethylsulfinyl)acetamide (CID 81328464) is N-(2-aminoethyl)-2-(2-methoxyethylsulfinyl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(2-methoxyethylsulfinyl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(2-methoxyethylsulfinyl)acetamide is COCCS(=O)CC(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-2-(2-methoxyethylsulfinyl)acetamide?
The InChIKey is UAEJUBSRKGAQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-12-4-5-13(11)6-7(10)9-3-2-8/h2-6,8H2,1H3,(H,9,10).
What are the key properties of N-(2-aminoethyl)-2-(2-methoxyethylsulfinyl)acetamide?
N-(2-aminoethyl)-2-(2-methoxyethylsulfinyl)acetamide has a molecular weight of 208.28 g/mol, XLogP of -1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(2-methoxyethylsulfinyl)acetamide is sourced from PubChem (CID 81328464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).