2-amino-N-(1-methylsulfonylpropan-2-yl)ethanesulfonamide

C6H16N2O4S2 — CID 64631627

IUPAC2-amino-N-(1-methylsulfonylpropan-2-yl)ethanesulfonamide
SMILESCC(CS(C)(=O)=O)NS(=O)(=O)CCN
InChIInChI=1S/C6H16N2O4S2/c1-6(5-13(2,9)10)8-14(11,12)4-3-7/h6,8H,3-5,7H2,1-2H3
InChIKeyVTKQHBGXDRIZRK-UHFFFAOYSA-N
MW244.34 g/mol
LogP-1.70
Rot. Bonds6

About 2-amino-N-(1-methylsulfonylpropan-2-yl)ethanesulfonamide

2-amino-N-(1-methylsulfonylpropan-2-yl)ethanesulfonamide (PubChem CID 64631627) has the molecular formula C6H16N2O4S2 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-amino-N-(1-methylsulfonylpropan-2-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-(1-methylsulfonylpropan-2-yl)ethanesulfonamide
PubChem CID64631627
Molecular FormulaC6H16N2O4S2
Molecular Weight244.34 g/mol
Exact Mass244.06
IUPAC Name2-amino-N-(1-methylsulfonylpropan-2-yl)ethanesulfonamide
SMILESCC(CS(C)(=O)=O)NS(=O)(=O)CCN
InChIInChI=1S/C6H16N2O4S2/c1-6(5-13(2,9)10)8-14(11,12)4-3-7/h6,8H,3-5,7H2,1-2H3
InChIKeyVTKQHBGXDRIZRK-UHFFFAOYSA-N
XLogP-1.70
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 5-1.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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3-amino-N-(1-methoxypropan-2-yl)propane-1-sulfonamide
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N-(1-methylsulfonylpropan-2-yl)hydroxylamine
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2-amino-N-(1-imidazol-1-ylpropan-2-yl)ethanesulfonamide
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4-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide
CID 64631806
4-amino-N-[1-(dimethylamino)propan-2-yl]butane-1-sulfonamide
CID 82945449
N-(4-hydroxybutan-2-yl)-2-methylsulfonylethanesulfonamide
CID 115477904
N-(1-methylsulfonylpropan-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-methylsulfonylpropan-2-yl)ethanesulfonamide?
The IUPAC name of 2-amino-N-(1-methylsulfonylpropan-2-yl)ethanesulfonamide (CID 64631627) is 2-amino-N-(1-methylsulfonylpropan-2-yl)ethanesulfonamide.
What is the SMILES notation for 2-amino-N-(1-methylsulfonylpropan-2-yl)ethanesulfonamide?
The canonical SMILES for 2-amino-N-(1-methylsulfonylpropan-2-yl)ethanesulfonamide is CC(CS(C)(=O)=O)NS(=O)(=O)CCN.
What is the InChIKey of 2-amino-N-(1-methylsulfonylpropan-2-yl)ethanesulfonamide?
The InChIKey is VTKQHBGXDRIZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O4S2/c1-6(5-13(2,9)10)8-14(11,12)4-3-7/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 2-amino-N-(1-methylsulfonylpropan-2-yl)ethanesulfonamide?
2-amino-N-(1-methylsulfonylpropan-2-yl)ethanesulfonamide has a molecular weight of 244.34 g/mol, XLogP of -1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-methylsulfonylpropan-2-yl)ethanesulfonamide is sourced from PubChem (CID 64631627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).