N-(4-aminopentan-2-yl)-2-methylsulfonylpropanamide

C9H20N2O3S — CID 104522544

IUPACN-(4-aminopentan-2-yl)-2-methylsulfonylpropanamide
SMILESCC(N)CC(C)NC(=O)C(C)S(C)(=O)=O
InChIInChI=1S/C9H20N2O3S/c1-6(10)5-7(2)11-9(12)8(3)15(4,13)14/h6-8H,5,10H2,1-4H3,(H,11,12)
InChIKeyWYCMXIHRFVHROD-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.34
Rot. Bonds5

About N-(4-aminopentan-2-yl)-2-methylsulfonylpropanamide

N-(4-aminopentan-2-yl)-2-methylsulfonylpropanamide (PubChem CID 104522544) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-(4-aminopentan-2-yl)-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(4-aminopentan-2-yl)-2-methylsulfonylpropanamide
PubChem CID104522544
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-(4-aminopentan-2-yl)-2-methylsulfonylpropanamide
SMILESCC(N)CC(C)NC(=O)C(C)S(C)(=O)=O
InChIInChI=1S/C9H20N2O3S/c1-6(10)5-7(2)11-9(12)8(3)15(4,13)14/h6-8H,5,10H2,1-4H3,(H,11,12)
InChIKeyWYCMXIHRFVHROD-UHFFFAOYSA-N
XLogP-0.34
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminopropan-2-yl)-2-methylsulfonylpropanamide
CID 104520686
1,3-bis(4-aminopentan-2-yl)urea
CID 20820352
N-(1-amino-4-methylpentan-2-yl)-2-methylsulfonylpropanamide
CID 115737405
2-(2-methylsulfonylpropanoylamino)propanoic acid
CID 115731150
(2R)-N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-methylsulfonylpropanamide
CID 94171682
4-amino-2-(2-methylsulfonylpropanoylamino)-4-oxobutanoic acid
CID 104517415
(2S)-2-(2-methylsulfonylpropanoylamino)butanoic acid
CID 104517781
N-methyl-2-methylsulfonylpropanamide
CID 54261132
(2S)-3-methyl-2-(2-methylsulfonylpropanoylamino)butanoic acid
CID 103804185
4-methylsulfonylpentan-2-amine
CID 64703768
N-(1-amino-1-sulfanylidenepentan-3-yl)-2-methylsulfonylpropanamide
CID 104519401
3-methoxy-2-(2-methylsulfonylpropanoylamino)propanoic acid
CID 104517760

Frequently Asked Questions

What is the IUPAC name of N-(4-aminopentan-2-yl)-2-methylsulfonylpropanamide?
The IUPAC name of N-(4-aminopentan-2-yl)-2-methylsulfonylpropanamide (CID 104522544) is N-(4-aminopentan-2-yl)-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(4-aminopentan-2-yl)-2-methylsulfonylpropanamide?
The canonical SMILES for N-(4-aminopentan-2-yl)-2-methylsulfonylpropanamide is CC(N)CC(C)NC(=O)C(C)S(C)(=O)=O.
What is the InChIKey of N-(4-aminopentan-2-yl)-2-methylsulfonylpropanamide?
The InChIKey is WYCMXIHRFVHROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-6(10)5-7(2)11-9(12)8(3)15(4,13)14/h6-8H,5,10H2,1-4H3,(H,11,12).
What are the key properties of N-(4-aminopentan-2-yl)-2-methylsulfonylpropanamide?
N-(4-aminopentan-2-yl)-2-methylsulfonylpropanamide has a molecular weight of 236.34 g/mol, XLogP of -0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminopentan-2-yl)-2-methylsulfonylpropanamide is sourced from PubChem (CID 104522544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).