2-(2-aminoethylsulfinyl)-N-pentan-3-ylacetamide

C9H20N2O2S — CID 81175881

IUPAC2-(2-aminoethylsulfinyl)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CS(=O)CCN
InChIInChI=1S/C9H20N2O2S/c1-3-8(4-2)11-9(12)7-14(13)6-5-10/h8H,3-7,10H2,1-2H3,(H,11,12)
InChIKeyZQRBXLDCKZGFQD-UHFFFAOYSA-N
MW220.34 g/mol
LogP-0.00
Rot. Bonds7

About 2-(2-aminoethylsulfinyl)-N-pentan-3-ylacetamide

2-(2-aminoethylsulfinyl)-N-pentan-3-ylacetamide (PubChem CID 81175881) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 2-(2-aminoethylsulfinyl)-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(2-aminoethylsulfinyl)-N-pentan-3-ylacetamide
PubChem CID81175881
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name2-(2-aminoethylsulfinyl)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CS(=O)CCN
InChIInChI=1S/C9H20N2O2S/c1-3-8(4-2)11-9(12)7-14(13)6-5-10/h8H,3-7,10H2,1-2H3,(H,11,12)
InChIKeyZQRBXLDCKZGFQD-UHFFFAOYSA-N
XLogP-0.00
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminoethylsulfinyl)-N-pentan-3-ylpropanamide
CID 81175017
2-(2-aminoethylsulfinyl)-N,N-diethylacetamide
CID 81174658
N-[(1R)-1-(4-chlorophenyl)propyl]-2-[(R)-2-hydroxyethylsulfinyl]acetamide
CID 124627586
2-[2-aminoethyl(methyl)amino]-N-pentan-3-ylacetamide
CID 61486750
2-(3-aminopropylamino)-N-pentan-3-ylacetamide
CID 62273335
N-(1-aminopentan-3-yl)hexanamide
CID 62652516
3-hydroxy-N-pentan-3-ylpropanamide
CID 57208434
5-amino-N-pentan-3-ylhexanamide
CID 82848944
2-(2-aminoethoxy)-N-(1-methoxybutan-2-yl)acetamide
CID 79478592
2-(2-aminopropylsulfonyl)-N-pentan-3-ylacetamide
CID 81189441
S-(2-aminoethyl) N-pentan-3-ylcarbamothioate
CID 19851838
3-chloro-N-pentan-3-ylpropanamide
CID 16783824

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfinyl)-N-pentan-3-ylacetamide?
The IUPAC name of 2-(2-aminoethylsulfinyl)-N-pentan-3-ylacetamide (CID 81175881) is 2-(2-aminoethylsulfinyl)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(2-aminoethylsulfinyl)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(2-aminoethylsulfinyl)-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CS(=O)CCN.
What is the InChIKey of 2-(2-aminoethylsulfinyl)-N-pentan-3-ylacetamide?
The InChIKey is ZQRBXLDCKZGFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-3-8(4-2)11-9(12)7-14(13)6-5-10/h8H,3-7,10H2,1-2H3,(H,11,12).
What are the key properties of 2-(2-aminoethylsulfinyl)-N-pentan-3-ylacetamide?
2-(2-aminoethylsulfinyl)-N-pentan-3-ylacetamide has a molecular weight of 220.34 g/mol, XLogP of -0.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfinyl)-N-pentan-3-ylacetamide is sourced from PubChem (CID 81175881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).