2-(2-aminobutylsulfonyl)-N-tert-butylpropanamide

C11H24N2O3S — CID 81194284

IUPAC2-(2-aminobutylsulfonyl)-N-tert-butylpropanamide
SMILESCCC(N)CS(=O)(=O)C(C)C(=O)NC(C)(C)C
InChIInChI=1S/C11H24N2O3S/c1-6-9(12)7-17(15,16)8(2)10(14)13-11(3,4)5/h8-9H,6-7,12H2,1-5H3,(H,13,14)
InChIKeyCXHMPMYUCBWEMW-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.44
Rot. Bonds5

About 2-(2-aminobutylsulfonyl)-N-tert-butylpropanamide

2-(2-aminobutylsulfonyl)-N-tert-butylpropanamide (PubChem CID 81194284) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-(2-aminobutylsulfonyl)-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-(2-aminobutylsulfonyl)-N-tert-butylpropanamide
PubChem CID81194284
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Name2-(2-aminobutylsulfonyl)-N-tert-butylpropanamide
SMILESCCC(N)CS(=O)(=O)C(C)C(=O)NC(C)(C)C
InChIInChI=1S/C11H24N2O3S/c1-6-9(12)7-17(15,16)8(2)10(14)13-11(3,4)5/h8-9H,6-7,12H2,1-5H3,(H,13,14)
InChIKeyCXHMPMYUCBWEMW-UHFFFAOYSA-N
XLogP0.44
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutylsulfonyl)-N-tert-butylpropanamide?
The IUPAC name of 2-(2-aminobutylsulfonyl)-N-tert-butylpropanamide (CID 81194284) is 2-(2-aminobutylsulfonyl)-N-tert-butylpropanamide.
What is the SMILES notation for 2-(2-aminobutylsulfonyl)-N-tert-butylpropanamide?
The canonical SMILES for 2-(2-aminobutylsulfonyl)-N-tert-butylpropanamide is CCC(N)CS(=O)(=O)C(C)C(=O)NC(C)(C)C.
What is the InChIKey of 2-(2-aminobutylsulfonyl)-N-tert-butylpropanamide?
The InChIKey is CXHMPMYUCBWEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-6-9(12)7-17(15,16)8(2)10(14)13-11(3,4)5/h8-9H,6-7,12H2,1-5H3,(H,13,14).
What are the key properties of 2-(2-aminobutylsulfonyl)-N-tert-butylpropanamide?
2-(2-aminobutylsulfonyl)-N-tert-butylpropanamide has a molecular weight of 264.39 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutylsulfonyl)-N-tert-butylpropanamide is sourced from PubChem (CID 81194284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).