2-(2-aminoethylsulfonyl)-N-(3-methylbutan-2-yl)acetamide

C9H20N2O3S — CID 81174763

IUPAC2-(2-aminoethylsulfonyl)-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CS(=O)(=O)CCN
InChIInChI=1S/C9H20N2O3S/c1-7(2)8(3)11-9(12)6-15(13,14)5-4-10/h7-8H,4-6,10H2,1-3H3,(H,11,12)
InChIKeyCSYALEFDNLMMSR-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.48
Rot. Bonds6

About 2-(2-aminoethylsulfonyl)-N-(3-methylbutan-2-yl)acetamide

2-(2-aminoethylsulfonyl)-N-(3-methylbutan-2-yl)acetamide (PubChem CID 81174763) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-(2-aminoethylsulfonyl)-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethylsulfonyl)-N-(3-methylbutan-2-yl)acetamide
PubChem CID81174763
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name2-(2-aminoethylsulfonyl)-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CS(=O)(=O)CCN
InChIInChI=1S/C9H20N2O3S/c1-7(2)8(3)11-9(12)6-15(13,14)5-4-10/h7-8H,4-6,10H2,1-3H3,(H,11,12)
InChIKeyCSYALEFDNLMMSR-UHFFFAOYSA-N
XLogP-0.48
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-(1-methylsulfonylpropan-2-yl)propanamide
CID 64123102
2-ethylsulfonyl-N-(3-methylbutan-2-yl)acetamide
CID 75414899
N-[(1R,2R)-2-ethylcyclopropyl]-2-methylsulfonylacetamide
CID 136581602
N-[(2S)-3-methyl-1-[S-propan-2-yl-N-(2,2,2-trifluoroacetyl)sulfonimidoyl]butan-2-yl]propanamide
CID 166691930
N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide
CID 5107420
N-(1,1-dioxidotetrahydro-3-thienyl)-2,2-dimethylpropanamide
CID 45595595
N-[(2R)-1-ethylsulfonylpropan-2-yl]cyclopropanecarboxamide
CID 166638056
2-[2-(aminomethyl)-3,3,3-trifluoropropyl]sulfonyl-N-propylacetamide
CID 114233401
N-(3-amino-2,2-difluoropropyl)-2-(2-methylpropylsulfonyl)acetamide
CID 120411148
N-(cyanomethyl)-3-(2-methylpropylsulfonyl)-2-(2-methylpropylsulfonylmethyl)propanamide
CID 9947341
N-(2-methylpropyl)-2-methylsulfonylacetamide
CID 20735603
N-(2,2-dimethylpropyl)-2-methylsulfonylacetamide
CID 21060291

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfonyl)-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(2-aminoethylsulfonyl)-N-(3-methylbutan-2-yl)acetamide (CID 81174763) is 2-(2-aminoethylsulfonyl)-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2-aminoethylsulfonyl)-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2-aminoethylsulfonyl)-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)CS(=O)(=O)CCN.
What is the InChIKey of 2-(2-aminoethylsulfonyl)-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is CSYALEFDNLMMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-7(2)8(3)11-9(12)6-15(13,14)5-4-10/h7-8H,4-6,10H2,1-3H3,(H,11,12).
What are the key properties of 2-(2-aminoethylsulfonyl)-N-(3-methylbutan-2-yl)acetamide?
2-(2-aminoethylsulfonyl)-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 236.34 g/mol, XLogP of -0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfonyl)-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 81174763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).