2-(2-aminobutylsulfinyl)-N-cyclopropylpropanamide

C10H20N2O2S — CID 81189391

IUPAC2-(2-aminobutylsulfinyl)-N-cyclopropylpropanamide
SMILESCCC(N)CS(=O)C(C)C(=O)NC1CC1
InChIInChI=1S/C10H20N2O2S/c1-3-8(11)6-15(14)7(2)10(13)12-9-4-5-9/h7-9H,3-6,11H2,1-2H3,(H,12,13)
InChIKeyQFXJLFZANPWIQS-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.14
Rot. Bonds6

About 2-(2-aminobutylsulfinyl)-N-cyclopropylpropanamide

2-(2-aminobutylsulfinyl)-N-cyclopropylpropanamide (PubChem CID 81189391) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-(2-aminobutylsulfinyl)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-(2-aminobutylsulfinyl)-N-cyclopropylpropanamide
PubChem CID81189391
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name2-(2-aminobutylsulfinyl)-N-cyclopropylpropanamide
SMILESCCC(N)CS(=O)C(C)C(=O)NC1CC1
InChIInChI=1S/C10H20N2O2S/c1-3-8(11)6-15(14)7(2)10(13)12-9-4-5-9/h7-9H,3-6,11H2,1-2H3,(H,12,13)
InChIKeyQFXJLFZANPWIQS-UHFFFAOYSA-N
XLogP0.14
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfinylacetic acid
CID 60982463
2-amino-N-cyclopropyl-3-methylpentanamide
CID 24695258
3-amino-N-cyclopropyl-2-hydroxypentanamide;hydrochloride
CID 67385613
2-(2-aminobutylsulfinyl)-1-(azepan-1-yl)propan-1-one
CID 81189041
N-cyclopropyl-2-ethylbutanamide
CID 5151098
2-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3-methylpentanamide
CID 113407095
(2S)-2-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 79024824
(2R)-N-cyclobutyl-2-methylbutanamide
CID 129182523
2-methyl-N-[4-(2-methylpropanoylamino)cyclohexyl]propanamide
CID 5083762
N-cyclopentyl-2-methylbutanamide;methane
CID 159941857
2-amino-N-(4-propan-2-ylcyclohexyl)pentanamide
CID 119339852
(2R)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]butanamide
CID 79025256

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutylsulfinyl)-N-cyclopropylpropanamide?
The IUPAC name of 2-(2-aminobutylsulfinyl)-N-cyclopropylpropanamide (CID 81189391) is 2-(2-aminobutylsulfinyl)-N-cyclopropylpropanamide.
What is the SMILES notation for 2-(2-aminobutylsulfinyl)-N-cyclopropylpropanamide?
The canonical SMILES for 2-(2-aminobutylsulfinyl)-N-cyclopropylpropanamide is CCC(N)CS(=O)C(C)C(=O)NC1CC1.
What is the InChIKey of 2-(2-aminobutylsulfinyl)-N-cyclopropylpropanamide?
The InChIKey is QFXJLFZANPWIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-3-8(11)6-15(14)7(2)10(13)12-9-4-5-9/h7-9H,3-6,11H2,1-2H3,(H,12,13).
What are the key properties of 2-(2-aminobutylsulfinyl)-N-cyclopropylpropanamide?
2-(2-aminobutylsulfinyl)-N-cyclopropylpropanamide has a molecular weight of 232.35 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutylsulfinyl)-N-cyclopropylpropanamide is sourced from PubChem (CID 81189391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).