2-(1-aminopropan-2-ylsulfinyl)-N-pentan-2-ylacetamide

C10H22N2O2S — CID 81187012

IUPAC2-(1-aminopropan-2-ylsulfinyl)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CS(=O)C(C)CN
InChIInChI=1S/C10H22N2O2S/c1-4-5-8(2)12-10(13)7-15(14)9(3)6-11/h8-9H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyWESPXGHPFJSDCU-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.39
Rot. Bonds7

About 2-(1-aminopropan-2-ylsulfinyl)-N-pentan-2-ylacetamide

2-(1-aminopropan-2-ylsulfinyl)-N-pentan-2-ylacetamide (PubChem CID 81187012) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 2-(1-aminopropan-2-ylsulfinyl)-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-(1-aminopropan-2-ylsulfinyl)-N-pentan-2-ylacetamide
PubChem CID81187012
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name2-(1-aminopropan-2-ylsulfinyl)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CS(=O)C(C)CN
InChIInChI=1S/C10H22N2O2S/c1-4-5-8(2)12-10(13)7-15(14)9(3)6-11/h8-9H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyWESPXGHPFJSDCU-UHFFFAOYSA-N
XLogP0.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminopropan-2-ylsulfinyl)-N-tert-butylacetamide
CID 81187704
N'-pentan-2-ylpropanediamide
CID 88934201
5-amino-N-heptan-2-yl-4-methylpentanamide
CID 82012192
2-(1-aminopropan-2-ylsulfinyl)-N-(cyclopropylmethyl)acetamide
CID 81187710
N-pentan-2-ylundecanamide
CID 173258559
N-[(2R)-1-aminopropan-2-yl]nonanamide
CID 104873041
2-bromo-N-pentan-2-ylacetamide
CID 54179178
N-(4-aminobutan-2-yl)octanamide
CID 62087208
2-(2-amino-4-methylphenyl)sulfinyl-N-pentan-2-ylacetamide
CID 81180529
2-nonylsulfinylpropan-1-amine
CID 81187131
2-[2-aminopropyl(methyl)amino]-N-pentan-2-ylacetamide
CID 63759359
N-(6-aminohexan-2-yl)octanamide
CID 123172105

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropan-2-ylsulfinyl)-N-pentan-2-ylacetamide?
The IUPAC name of 2-(1-aminopropan-2-ylsulfinyl)-N-pentan-2-ylacetamide (CID 81187012) is 2-(1-aminopropan-2-ylsulfinyl)-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-(1-aminopropan-2-ylsulfinyl)-N-pentan-2-ylacetamide?
The canonical SMILES for 2-(1-aminopropan-2-ylsulfinyl)-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CS(=O)C(C)CN.
What is the InChIKey of 2-(1-aminopropan-2-ylsulfinyl)-N-pentan-2-ylacetamide?
The InChIKey is WESPXGHPFJSDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-4-5-8(2)12-10(13)7-15(14)9(3)6-11/h8-9H,4-7,11H2,1-3H3,(H,12,13).
What are the key properties of 2-(1-aminopropan-2-ylsulfinyl)-N-pentan-2-ylacetamide?
2-(1-aminopropan-2-ylsulfinyl)-N-pentan-2-ylacetamide has a molecular weight of 234.36 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropan-2-ylsulfinyl)-N-pentan-2-ylacetamide is sourced from PubChem (CID 81187012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).