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

C9H20N2O3S — CID 104522528

IUPACN-(4-amino-2-methylbutyl)-2-methylsulfonylpropanamide
SMILESCC(CCN)CNC(=O)C(C)S(C)(=O)=O
InChIInChI=1S/C9H20N2O3S/c1-7(4-5-10)6-11-9(12)8(2)15(3,13)14/h7-8H,4-6,10H2,1-3H3,(H,11,12)
InChIKeyLKIRFUUDENRJSS-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.48
Rot. Bonds6

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

N-(4-amino-2-methylbutyl)-2-methylsulfonylpropanamide (PubChem CID 104522528) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-(4-amino-2-methylbutyl)-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(4-amino-2-methylbutyl)-2-methylsulfonylpropanamide
PubChem CID104522528
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-(4-amino-2-methylbutyl)-2-methylsulfonylpropanamide
SMILESCC(CCN)CNC(=O)C(C)S(C)(=O)=O
InChIInChI=1S/C9H20N2O3S/c1-7(4-5-10)6-11-9(12)8(2)15(3,13)14/h7-8H,4-6,10H2,1-3H3,(H,11,12)
InChIKeyLKIRFUUDENRJSS-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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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylbutyl)-2-methylsulfonylpropanamide?
The IUPAC name of N-(4-amino-2-methylbutyl)-2-methylsulfonylpropanamide (CID 104522528) is N-(4-amino-2-methylbutyl)-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(4-amino-2-methylbutyl)-2-methylsulfonylpropanamide?
The canonical SMILES for N-(4-amino-2-methylbutyl)-2-methylsulfonylpropanamide is CC(CCN)CNC(=O)C(C)S(C)(=O)=O.
What is the InChIKey of N-(4-amino-2-methylbutyl)-2-methylsulfonylpropanamide?
The InChIKey is LKIRFUUDENRJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-7(4-5-10)6-11-9(12)8(2)15(3,13)14/h7-8H,4-6,10H2,1-3H3,(H,11,12).
What are the key properties of N-(4-amino-2-methylbutyl)-2-methylsulfonylpropanamide?
N-(4-amino-2-methylbutyl)-2-methylsulfonylpropanamide 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 N-(4-amino-2-methylbutyl)-2-methylsulfonylpropanamide is sourced from PubChem (CID 104522528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).