N-(1-amino-3-methoxypropan-2-yl)-2-methylsulfonylacetamide

C7H16N2O4S — CID 106180213

IUPACN-(1-amino-3-methoxypropan-2-yl)-2-methylsulfonylacetamide
SMILESCOCC(CN)NC(=O)CS(C)(=O)=O
InChIInChI=1S/C7H16N2O4S/c1-13-4-6(3-8)9-7(10)5-14(2,11)12/h6H,3-5,8H2,1-2H3,(H,9,10)
InChIKeyHTTDNJGBDJYUGL-UHFFFAOYSA-N
MW224.28 g/mol
LogP-1.88
Rot. Bonds6

About N-(1-amino-3-methoxypropan-2-yl)-2-methylsulfonylacetamide

N-(1-amino-3-methoxypropan-2-yl)-2-methylsulfonylacetamide (PubChem CID 106180213) has the molecular formula C7H16N2O4S and a molecular weight of 224.28 g/mol. Its IUPAC name is N-(1-amino-3-methoxypropan-2-yl)-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-(1-amino-3-methoxypropan-2-yl)-2-methylsulfonylacetamide
PubChem CID106180213
Molecular FormulaC7H16N2O4S
Molecular Weight224.28 g/mol
Exact Mass224.08
IUPAC NameN-(1-amino-3-methoxypropan-2-yl)-2-methylsulfonylacetamide
SMILESCOCC(CN)NC(=O)CS(C)(=O)=O
InChIInChI=1S/C7H16N2O4S/c1-13-4-6(3-8)9-7(10)5-14(2,11)12/h6H,3-5,8H2,1-2H3,(H,9,10)
InChIKeyHTTDNJGBDJYUGL-UHFFFAOYSA-N
XLogP-1.88
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 5-1.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylpropyl N-(1-amino-3-methoxypropan-2-yl)carbamate
CID 106181066
N-(1-amino-3-methoxypropan-2-yl)-2-methylsulfonylethanesulfonamide
CID 106181408
N-(1-amino-3-methoxypropan-2-yl)-2-(3,4-difluorophenyl)acetamide
CID 106180111
N-(1-methoxybutan-2-yl)propanamide
CID 64590697
3-methoxy-2-N-(methylsulfamoyl)propane-1,2-diamine
CID 106181367
N-(1-amino-3-methoxypropan-2-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 106180519
CID 164924780
CID 164924780
N-(1-amino-3-methoxypropan-2-yl)-3-(oxan-2-yl)propanamide
CID 106180827
phenyl N-(1-amino-3-methoxypropan-2-yl)carbamate
CID 106181068
N-(1-amino-3-methoxypropan-2-yl)-2-ethylhexanamide
CID 106180051
2-(2-aminoethoxy)-N-(1-methoxybutan-2-yl)acetamide
CID 79478592
N-(4-amino-1-methoxybutan-2-yl)-4-methoxy-3-methylbutanamide
CID 106152366

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methoxypropan-2-yl)-2-methylsulfonylacetamide?
The IUPAC name of N-(1-amino-3-methoxypropan-2-yl)-2-methylsulfonylacetamide (CID 106180213) is N-(1-amino-3-methoxypropan-2-yl)-2-methylsulfonylacetamide.
What is the SMILES notation for N-(1-amino-3-methoxypropan-2-yl)-2-methylsulfonylacetamide?
The canonical SMILES for N-(1-amino-3-methoxypropan-2-yl)-2-methylsulfonylacetamide is COCC(CN)NC(=O)CS(C)(=O)=O.
What is the InChIKey of N-(1-amino-3-methoxypropan-2-yl)-2-methylsulfonylacetamide?
The InChIKey is HTTDNJGBDJYUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4S/c1-13-4-6(3-8)9-7(10)5-14(2,11)12/h6H,3-5,8H2,1-2H3,(H,9,10).
What are the key properties of N-(1-amino-3-methoxypropan-2-yl)-2-methylsulfonylacetamide?
N-(1-amino-3-methoxypropan-2-yl)-2-methylsulfonylacetamide has a molecular weight of 224.28 g/mol, XLogP of -1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methoxypropan-2-yl)-2-methylsulfonylacetamide is sourced from PubChem (CID 106180213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).