2-(3-amino-2-methylpropyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide

C12H26N2O3S — CID 81202396

IUPAC2-(3-amino-2-methylpropyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)S(=O)(=O)CC(C)CN
InChIInChI=1S/C12H26N2O3S/c1-6-12(4,5)14-11(15)10(3)18(16,17)8-9(2)7-13/h9-10H,6-8,13H2,1-5H3,(H,14,15)
InChIKeyOFTDAGDXDCJEFP-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.69
Rot. Bonds7

About 2-(3-amino-2-methylpropyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide

2-(3-amino-2-methylpropyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide (PubChem CID 81202396) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-(3-amino-2-methylpropyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-(3-amino-2-methylpropyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide
PubChem CID81202396
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC Name2-(3-amino-2-methylpropyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)S(=O)(=O)CC(C)CN
InChIInChI=1S/C12H26N2O3S/c1-6-12(4,5)14-11(15)10(3)18(16,17)8-9(2)7-13/h9-10H,6-8,13H2,1-5H3,(H,14,15)
InChIKeyOFTDAGDXDCJEFP-UHFFFAOYSA-N
XLogP0.69
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylpropyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-(3-amino-2-methylpropyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide (CID 81202396) is 2-(3-amino-2-methylpropyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-(3-amino-2-methylpropyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-(3-amino-2-methylpropyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)S(=O)(=O)CC(C)CN.
What is the InChIKey of 2-(3-amino-2-methylpropyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is OFTDAGDXDCJEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-6-12(4,5)14-11(15)10(3)18(16,17)8-9(2)7-13/h9-10H,6-8,13H2,1-5H3,(H,14,15).
What are the key properties of 2-(3-amino-2-methylpropyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide?
2-(3-amino-2-methylpropyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 278.42 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methylpropyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 81202396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).