3-(2-aminopropylsulfinyl)-N-propan-2-ylpropanamide

C9H20N2O2S — CID 81188958

IUPAC3-(2-aminopropylsulfinyl)-N-propan-2-ylpropanamide
SMILESCC(N)CS(=O)CCC(=O)NC(C)C
InChIInChI=1S/C9H20N2O2S/c1-7(2)11-9(12)4-5-14(13)6-8(3)10/h7-8H,4-6,10H2,1-3H3,(H,11,12)
InChIKeyJAGGKUVIAZMWHD-UHFFFAOYSA-N
MW220.34 g/mol
LogP-0.00
Rot. Bonds6

About 3-(2-aminopropylsulfinyl)-N-propan-2-ylpropanamide

3-(2-aminopropylsulfinyl)-N-propan-2-ylpropanamide (PubChem CID 81188958) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 3-(2-aminopropylsulfinyl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(2-aminopropylsulfinyl)-N-propan-2-ylpropanamide
PubChem CID81188958
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name3-(2-aminopropylsulfinyl)-N-propan-2-ylpropanamide
SMILESCC(N)CS(=O)CCC(=O)NC(C)C
InChIInChI=1S/C9H20N2O2S/c1-7(2)11-9(12)4-5-14(13)6-8(3)10/h7-8H,4-6,10H2,1-3H3,(H,11,12)
InChIKeyJAGGKUVIAZMWHD-UHFFFAOYSA-N
XLogP-0.00
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropylsulfinyl)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(2-aminopropylsulfinyl)-N-propan-2-ylpropanamide (CID 81188958) is 3-(2-aminopropylsulfinyl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(2-aminopropylsulfinyl)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(2-aminopropylsulfinyl)-N-propan-2-ylpropanamide is CC(N)CS(=O)CCC(=O)NC(C)C.
What is the InChIKey of 3-(2-aminopropylsulfinyl)-N-propan-2-ylpropanamide?
The InChIKey is JAGGKUVIAZMWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-7(2)11-9(12)4-5-14(13)6-8(3)10/h7-8H,4-6,10H2,1-3H3,(H,11,12).
What are the key properties of 3-(2-aminopropylsulfinyl)-N-propan-2-ylpropanamide?
3-(2-aminopropylsulfinyl)-N-propan-2-ylpropanamide has a molecular weight of 220.34 g/mol, XLogP of -0.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropylsulfinyl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 81188958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).