4-(3-aminopropylsulfinyl)-N-methylbutanamide

C8H18N2O2S — CID 81186862

IUPAC4-(3-aminopropylsulfinyl)-N-methylbutanamide
SMILESCNC(=O)CCCS(=O)CCCN
InChIInChI=1S/C8H18N2O2S/c1-10-8(11)4-2-6-13(12)7-3-5-9/h2-7,9H2,1H3,(H,10,11)
InChIKeyCLPUEZKTUGJTNA-UHFFFAOYSA-N
MW206.31 g/mol
LogP-0.39
Rot. Bonds7

About 4-(3-aminopropylsulfinyl)-N-methylbutanamide

4-(3-aminopropylsulfinyl)-N-methylbutanamide (PubChem CID 81186862) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 4-(3-aminopropylsulfinyl)-N-methylbutanamide.

Molecular Properties

Compound Name4-(3-aminopropylsulfinyl)-N-methylbutanamide
PubChem CID81186862
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name4-(3-aminopropylsulfinyl)-N-methylbutanamide
SMILESCNC(=O)CCCS(=O)CCCN
InChIInChI=1S/C8H18N2O2S/c1-10-8(11)4-2-6-13(12)7-3-5-9/h2-7,9H2,1H3,(H,10,11)
InChIKeyCLPUEZKTUGJTNA-UHFFFAOYSA-N
XLogP-0.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropylsulfinyl)-N-methylbutanamide?
The IUPAC name of 4-(3-aminopropylsulfinyl)-N-methylbutanamide (CID 81186862) is 4-(3-aminopropylsulfinyl)-N-methylbutanamide.
What is the SMILES notation for 4-(3-aminopropylsulfinyl)-N-methylbutanamide?
The canonical SMILES for 4-(3-aminopropylsulfinyl)-N-methylbutanamide is CNC(=O)CCCS(=O)CCCN.
What is the InChIKey of 4-(3-aminopropylsulfinyl)-N-methylbutanamide?
The InChIKey is CLPUEZKTUGJTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-10-8(11)4-2-6-13(12)7-3-5-9/h2-7,9H2,1H3,(H,10,11).
What are the key properties of 4-(3-aminopropylsulfinyl)-N-methylbutanamide?
4-(3-aminopropylsulfinyl)-N-methylbutanamide has a molecular weight of 206.31 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 4-(3-aminopropylsulfinyl)-N-methylbutanamide is sourced from PubChem (CID 81186862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).