N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-2-methylsulfonylpropanamide

C11H22N2O3S — CID 115307783

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-2-methylsulfonylpropanamide
SMILESCC(CN)(NC(=O)C(C)(C)S(C)(=O)=O)C1CC1
InChIInChI=1S/C11H22N2O3S/c1-10(2,17(4,15)16)9(14)13-11(3,7-12)8-5-6-8/h8H,5-7,12H2,1-4H3,(H,13,14)
InChIKeyCBQDUQSPXPAWQZ-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.05
Rot. Bonds5

About N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-2-methylsulfonylpropanamide

N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-2-methylsulfonylpropanamide (PubChem CID 115307783) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-2-methylsulfonylpropanamide
PubChem CID115307783
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-2-methylsulfonylpropanamide
SMILESCC(CN)(NC(=O)C(C)(C)S(C)(=O)=O)C1CC1
InChIInChI=1S/C11H22N2O3S/c1-10(2,17(4,15)16)9(14)13-11(3,7-12)8-5-6-8/h8H,5-7,12H2,1-4H3,(H,13,14)
InChIKeyCBQDUQSPXPAWQZ-UHFFFAOYSA-N
XLogP0.05
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-2-methylsulfonylpropanamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-2-methylsulfonylpropanamide (CID 115307783) is N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-2-methylsulfonylpropanamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-2-methylsulfonylpropanamide is CC(CN)(NC(=O)C(C)(C)S(C)(=O)=O)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-2-methylsulfonylpropanamide?
The InChIKey is CBQDUQSPXPAWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-10(2,17(4,15)16)9(14)13-11(3,7-12)8-5-6-8/h8H,5-7,12H2,1-4H3,(H,13,14).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-2-methylsulfonylpropanamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-2-methylsulfonylpropanamide has a molecular weight of 262.37 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-2-methylsulfonylpropanamide is sourced from PubChem (CID 115307783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).