N-(4-amino-2-methylbutyl)-2-methylsulfonylacetamide

C8H18N2O3S — CID 66092063

IUPACN-(4-amino-2-methylbutyl)-2-methylsulfonylacetamide
SMILESCC(CCN)CNC(=O)CS(C)(=O)=O
InChIInChI=1S/C8H18N2O3S/c1-7(3-4-9)5-10-8(11)6-14(2,12)13/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyZQOZPXFHLKYRCV-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.87
Rot. Bonds6

About N-(4-amino-2-methylbutyl)-2-methylsulfonylacetamide

N-(4-amino-2-methylbutyl)-2-methylsulfonylacetamide (PubChem CID 66092063) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is N-(4-amino-2-methylbutyl)-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-(4-amino-2-methylbutyl)-2-methylsulfonylacetamide
PubChem CID66092063
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC NameN-(4-amino-2-methylbutyl)-2-methylsulfonylacetamide
SMILESCC(CCN)CNC(=O)CS(C)(=O)=O
InChIInChI=1S/C8H18N2O3S/c1-7(3-4-9)5-10-8(11)6-14(2,12)13/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyZQOZPXFHLKYRCV-UHFFFAOYSA-N
XLogP-0.87
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-[(2-methylsulfonylacetyl)amino]butanoic acid
CID 81064138
N-(4-amino-2-methylbutyl)-2-methylsulfonylpropanamide
CID 104522528
N-(2-amino-4-methylpentyl)-2-methylsulfonylacetamide
CID 107158792
N-(6-aminohexyl)-2-methylsulfonylacetamide
CID 107843916
N-(4-hydroxy-2-methylbutyl)-3-methylsulfonylpropanamide
CID 66107104
6-amino-4-methyl-N-methylsulfonylhexanamide
CID 103287350
N-(4-amino-2-methylbutyl)-3-propoxypropanamide
CID 66089751
2-amino-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66089038
6-amino-N-(2,2-diethoxyethyl)-4-methylhexanamide
CID 79547447
2-amino-N-(4-hydroxy-2-methylbutyl)-4-methylsulfonylbutanamide
CID 66091622
2-(4-aminobutylsulfonyl)-N-(2-methylpropyl)acetamide
CID 82180307
5-amino-N-(4-hydroxy-2-methylbutyl)pentanamide
CID 66090702

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylbutyl)-2-methylsulfonylacetamide?
The IUPAC name of N-(4-amino-2-methylbutyl)-2-methylsulfonylacetamide (CID 66092063) is N-(4-amino-2-methylbutyl)-2-methylsulfonylacetamide.
What is the SMILES notation for N-(4-amino-2-methylbutyl)-2-methylsulfonylacetamide?
The canonical SMILES for N-(4-amino-2-methylbutyl)-2-methylsulfonylacetamide is CC(CCN)CNC(=O)CS(C)(=O)=O.
What is the InChIKey of N-(4-amino-2-methylbutyl)-2-methylsulfonylacetamide?
The InChIKey is ZQOZPXFHLKYRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-7(3-4-9)5-10-8(11)6-14(2,12)13/h7H,3-6,9H2,1-2H3,(H,10,11).
What are the key properties of N-(4-amino-2-methylbutyl)-2-methylsulfonylacetamide?
N-(4-amino-2-methylbutyl)-2-methylsulfonylacetamide has a molecular weight of 222.31 g/mol, XLogP of -0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylbutyl)-2-methylsulfonylacetamide is sourced from PubChem (CID 66092063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).