N-(1-aminopropan-2-yl)-2-methylsulfonylpropanamide

C7H16N2O3S — CID 104520686

IUPACN-(1-aminopropan-2-yl)-2-methylsulfonylpropanamide
SMILESCC(CN)NC(=O)C(C)S(C)(=O)=O
InChIInChI=1S/C7H16N2O3S/c1-5(4-8)9-7(10)6(2)13(3,11)12/h5-6H,4,8H2,1-3H3,(H,9,10)
InChIKeyORRDCFLINKEFMT-UHFFFAOYSA-N
MW208.28 g/mol
LogP-1.12
Rot. Bonds4

About N-(1-aminopropan-2-yl)-2-methylsulfonylpropanamide

N-(1-aminopropan-2-yl)-2-methylsulfonylpropanamide (PubChem CID 104520686) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2-methylsulfonylpropanamide
PubChem CID104520686
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC NameN-(1-aminopropan-2-yl)-2-methylsulfonylpropanamide
SMILESCC(CN)NC(=O)C(C)S(C)(=O)=O
InChIInChI=1S/C7H16N2O3S/c1-5(4-8)9-7(10)6(2)13(3,11)12/h5-6H,4,8H2,1-3H3,(H,9,10)
InChIKeyORRDCFLINKEFMT-UHFFFAOYSA-N
XLogP-1.12
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminopentan-2-yl)-2-methylsulfonylpropanamide
CID 104522544
N-(1-amino-4-methylpentan-2-yl)-2-methylsulfonylpropanamide
CID 115737405
N-[(2S)-1-aminopropan-2-yl]-2-methylpropanamide
CID 130636581
2-amino-N-[(2R)-1-aminopropan-2-yl]propanamide
CID 130611964
N-[(2R)-1-aminopropan-2-yl]-2,3-dimethylbutanamide
CID 104873144
2-(2-methylsulfonylpropanoylamino)propanoic acid
CID 115731150
N-[(2R)-1-aminopropan-2-yl]-2-methoxypropanamide
CID 104873046
(2R)-2-amino-N-[(2R)-1-aminopropan-2-yl]butanamide
CID 131206927
4-amino-2-(2-methylsulfonylpropanoylamino)-4-oxobutanoic acid
CID 104517415
(2S)-2-(2-methylsulfonylpropanoylamino)butanoic acid
CID 104517781
N-methyl-2-methylsulfonylpropanamide
CID 54261132
N-[(2S)-1-aminopropan-2-yl]-2-(2-methylpropylsulfonyl)acetamide
CID 120505963

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2-methylsulfonylpropanamide?
The IUPAC name of N-(1-aminopropan-2-yl)-2-methylsulfonylpropanamide (CID 104520686) is N-(1-aminopropan-2-yl)-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2-methylsulfonylpropanamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-2-methylsulfonylpropanamide is CC(CN)NC(=O)C(C)S(C)(=O)=O.
What is the InChIKey of N-(1-aminopropan-2-yl)-2-methylsulfonylpropanamide?
The InChIKey is ORRDCFLINKEFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-5(4-8)9-7(10)6(2)13(3,11)12/h5-6H,4,8H2,1-3H3,(H,9,10).
What are the key properties of N-(1-aminopropan-2-yl)-2-methylsulfonylpropanamide?
N-(1-aminopropan-2-yl)-2-methylsulfonylpropanamide has a molecular weight of 208.28 g/mol, XLogP of -1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-2-methylsulfonylpropanamide is sourced from PubChem (CID 104520686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).