2-(2-aminopropylsulfinyl)-N-(2-methylbutan-2-yl)propanamide

C11H24N2O2S — CID 81189075

IUPAC2-(2-aminopropylsulfinyl)-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)S(=O)CC(C)N
InChIInChI=1S/C11H24N2O2S/c1-6-11(4,5)13-10(14)9(3)16(15)7-8(2)12/h8-9H,6-7,12H2,1-5H3,(H,13,14)
InChIKeyLCQCPMXZBVXBQE-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.78
Rot. Bonds6

About 2-(2-aminopropylsulfinyl)-N-(2-methylbutan-2-yl)propanamide

2-(2-aminopropylsulfinyl)-N-(2-methylbutan-2-yl)propanamide (PubChem CID 81189075) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 2-(2-aminopropylsulfinyl)-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-(2-aminopropylsulfinyl)-N-(2-methylbutan-2-yl)propanamide
PubChem CID81189075
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name2-(2-aminopropylsulfinyl)-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)S(=O)CC(C)N
InChIInChI=1S/C11H24N2O2S/c1-6-11(4,5)13-10(14)9(3)16(15)7-8(2)12/h8-9H,6-7,12H2,1-5H3,(H,13,14)
InChIKeyLCQCPMXZBVXBQE-UHFFFAOYSA-N
XLogP0.78
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropylsulfinyl)-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-(2-aminopropylsulfinyl)-N-(2-methylbutan-2-yl)propanamide (CID 81189075) is 2-(2-aminopropylsulfinyl)-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-(2-aminopropylsulfinyl)-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-(2-aminopropylsulfinyl)-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)S(=O)CC(C)N.
What is the InChIKey of 2-(2-aminopropylsulfinyl)-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is LCQCPMXZBVXBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-6-11(4,5)13-10(14)9(3)16(15)7-8(2)12/h8-9H,6-7,12H2,1-5H3,(H,13,14).
What are the key properties of 2-(2-aminopropylsulfinyl)-N-(2-methylbutan-2-yl)propanamide?
2-(2-aminopropylsulfinyl)-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 248.39 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropylsulfinyl)-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 81189075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).