2-(3-aminobutylsulfinyl)-N-(2-methylbutan-2-yl)propanamide

C12H26N2O2S — CID 81194611

IUPAC2-(3-aminobutylsulfinyl)-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)S(=O)CCC(C)N
InChIInChI=1S/C12H26N2O2S/c1-6-12(4,5)14-11(15)10(3)17(16)8-7-9(2)13/h9-10H,6-8,13H2,1-5H3,(H,14,15)
InChIKeyJEHOJTHHNZXYAI-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.17
Rot. Bonds7

About 2-(3-aminobutylsulfinyl)-N-(2-methylbutan-2-yl)propanamide

2-(3-aminobutylsulfinyl)-N-(2-methylbutan-2-yl)propanamide (PubChem CID 81194611) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 2-(3-aminobutylsulfinyl)-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-(3-aminobutylsulfinyl)-N-(2-methylbutan-2-yl)propanamide
PubChem CID81194611
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name2-(3-aminobutylsulfinyl)-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)S(=O)CCC(C)N
InChIInChI=1S/C12H26N2O2S/c1-6-12(4,5)14-11(15)10(3)17(16)8-7-9(2)13/h9-10H,6-8,13H2,1-5H3,(H,14,15)
InChIKeyJEHOJTHHNZXYAI-UHFFFAOYSA-N
XLogP1.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminopropylsulfinyl)-N-(2-methylbutan-2-yl)propanamide
CID 81189075
(2R)-2-amino-N-(2-methylbutan-2-yl)pentanamide
CID 103793847
2-(2-aminophenyl)sulfinyl-N-(2-methylbutan-2-yl)propanamide
CID 61367476
2-(3-aminobutylsulfinyl)-N-(3-methoxypropyl)propanamide
CID 81193999
2-aminooxy-N-(2-methylbutan-2-yl)propanamide
CID 79426922
(2S)-5-amino-2-methyl-N-(2-methylbutan-2-yl)pentanamide
CID 143373195
N-(2-methylbutan-2-yl)-2-(2-methylbutan-2-ylamino)propanamide
CID 43116529
2-amino-N-(2-methylbutan-2-yl)butanediamide
CID 60849148
2-(4-hydroxybutan-2-ylamino)-N-(2-methylbutan-2-yl)propanamide
CID 83176935
3-amino-2-methyl-N-(2-methylbutan-2-yl)-3-phenylpropanamide
CID 80551789
2-(ethylamino)-N-(2-methylbutan-2-yl)propanamide
CID 43112409
2-[2-aminoethyl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 61349502

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminobutylsulfinyl)-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-(3-aminobutylsulfinyl)-N-(2-methylbutan-2-yl)propanamide (CID 81194611) is 2-(3-aminobutylsulfinyl)-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-(3-aminobutylsulfinyl)-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-(3-aminobutylsulfinyl)-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)S(=O)CCC(C)N.
What is the InChIKey of 2-(3-aminobutylsulfinyl)-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is JEHOJTHHNZXYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-6-12(4,5)14-11(15)10(3)17(16)8-7-9(2)13/h9-10H,6-8,13H2,1-5H3,(H,14,15).
What are the key properties of 2-(3-aminobutylsulfinyl)-N-(2-methylbutan-2-yl)propanamide?
2-(3-aminobutylsulfinyl)-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 262.42 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminobutylsulfinyl)-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 81194611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).