2-(4-aminobutan-2-ylsulfanyl)-N-(2-methylpropyl)propanamide

C11H24N2OS — CID 66230922

IUPAC2-(4-aminobutan-2-ylsulfanyl)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)SC(C)CCN
InChIInChI=1S/C11H24N2OS/c1-8(2)7-13-11(14)10(4)15-9(3)5-6-12/h8-10H,5-7,12H2,1-4H3,(H,13,14)
InChIKeyHJZIJKXTCAJKIS-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.62
Rot. Bonds7

About 2-(4-aminobutan-2-ylsulfanyl)-N-(2-methylpropyl)propanamide

2-(4-aminobutan-2-ylsulfanyl)-N-(2-methylpropyl)propanamide (PubChem CID 66230922) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is 2-(4-aminobutan-2-ylsulfanyl)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-(4-aminobutan-2-ylsulfanyl)-N-(2-methylpropyl)propanamide
PubChem CID66230922
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name2-(4-aminobutan-2-ylsulfanyl)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)SC(C)CCN
InChIInChI=1S/C11H24N2OS/c1-8(2)7-13-11(14)10(4)15-9(3)5-6-12/h8-10H,5-7,12H2,1-4H3,(H,13,14)
InChIKeyHJZIJKXTCAJKIS-UHFFFAOYSA-N
XLogP1.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminobutan-2-ylsulfanyl)-N-(3-methoxypropyl)propanamide
CID 66229310
4-amino-N-(2,3-dimethylbutyl)-2-methylbutanamide
CID 80544787
4-amino-N-(2-methylpropyl)-2-phenylbutanamide
CID 112515492
(2S)-2-(2,2-dimethylpropylsulfanyl)-N-(2-methylpropyl)propanamide
CID 138622913
2-(4-aminobutan-2-ylsulfanyl)-1-(azepan-1-yl)propan-1-one
CID 66228390
(2S)-2-amino-3-methyl-3-[1-(2-methylpropylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid
CID 114189300
2-amino-3-methyl-N-(2-methylpropyl)butanamide
CID 19602466
4-amino-N-[(2S)-2-hydroxypropyl]-2-methylbutanamide
CID 107221139
4-amino-2-(4-fluorophenyl)-N-(2-methylpropyl)butanamide
CID 112516304
N-(4-aminobutan-2-yl)-2-methylpropanamide
CID 62087211
2-methylpropan-1-amine;N-(2-methylpropyl)acetamide
CID 161466003
4-amino-N-(3-hydroxy-2-methylpropyl)-2-methylbutanamide
CID 80544789

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutan-2-ylsulfanyl)-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-(4-aminobutan-2-ylsulfanyl)-N-(2-methylpropyl)propanamide (CID 66230922) is 2-(4-aminobutan-2-ylsulfanyl)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-(4-aminobutan-2-ylsulfanyl)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-(4-aminobutan-2-ylsulfanyl)-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)SC(C)CCN.
What is the InChIKey of 2-(4-aminobutan-2-ylsulfanyl)-N-(2-methylpropyl)propanamide?
The InChIKey is HJZIJKXTCAJKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-8(2)7-13-11(14)10(4)15-9(3)5-6-12/h8-10H,5-7,12H2,1-4H3,(H,13,14).
What are the key properties of 2-(4-aminobutan-2-ylsulfanyl)-N-(2-methylpropyl)propanamide?
2-(4-aminobutan-2-ylsulfanyl)-N-(2-methylpropyl)propanamide has a molecular weight of 232.39 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutan-2-ylsulfanyl)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 66230922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).