N-(3-aminopropyl)-2-butan-2-ylsulfinyl-N-methylacetamide

C10H22N2O2S — CID 81328932

IUPACN-(3-aminopropyl)-2-butan-2-ylsulfinyl-N-methylacetamide
SMILESCCC(C)S(=O)CC(=O)N(C)CCCN
InChIInChI=1S/C10H22N2O2S/c1-4-9(2)15(14)8-10(13)12(3)7-5-6-11/h9H,4-8,11H2,1-3H3
InChIKeySHLXRJVTYHSPQC-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.34
Rot. Bonds7

About N-(3-aminopropyl)-2-butan-2-ylsulfinyl-N-methylacetamide

N-(3-aminopropyl)-2-butan-2-ylsulfinyl-N-methylacetamide (PubChem CID 81328932) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-butan-2-ylsulfinyl-N-methylacetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-butan-2-ylsulfinyl-N-methylacetamide
PubChem CID81328932
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN-(3-aminopropyl)-2-butan-2-ylsulfinyl-N-methylacetamide
SMILESCCC(C)S(=O)CC(=O)N(C)CCCN
InChIInChI=1S/C10H22N2O2S/c1-4-9(2)15(14)8-10(13)12(3)7-5-6-11/h9H,4-8,11H2,1-3H3
InChIKeySHLXRJVTYHSPQC-UHFFFAOYSA-N
XLogP0.34
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-butan-2-ylsulfinyl-N-methylacetamide?
The IUPAC name of N-(3-aminopropyl)-2-butan-2-ylsulfinyl-N-methylacetamide (CID 81328932) is N-(3-aminopropyl)-2-butan-2-ylsulfinyl-N-methylacetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-butan-2-ylsulfinyl-N-methylacetamide?
The canonical SMILES for N-(3-aminopropyl)-2-butan-2-ylsulfinyl-N-methylacetamide is CCC(C)S(=O)CC(=O)N(C)CCCN.
What is the InChIKey of N-(3-aminopropyl)-2-butan-2-ylsulfinyl-N-methylacetamide?
The InChIKey is SHLXRJVTYHSPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-4-9(2)15(14)8-10(13)12(3)7-5-6-11/h9H,4-8,11H2,1-3H3.
What are the key properties of N-(3-aminopropyl)-2-butan-2-ylsulfinyl-N-methylacetamide?
N-(3-aminopropyl)-2-butan-2-ylsulfinyl-N-methylacetamide has a molecular weight of 234.36 g/mol, XLogP of 0.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-butan-2-ylsulfinyl-N-methylacetamide is sourced from PubChem (CID 81328932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).