4-(3-aminopropylsulfinyl)-N,N-dimethylbutanamide

C9H20N2O2S — CID 81187455

IUPAC4-(3-aminopropylsulfinyl)-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCS(=O)CCCN
InChIInChI=1S/C9H20N2O2S/c1-11(2)9(12)5-3-7-14(13)8-4-6-10/h3-8,10H2,1-2H3
InChIKeyATWATPYFCZNFKW-UHFFFAOYSA-N
MW220.34 g/mol
LogP-0.05
Rot. Bonds7

About 4-(3-aminopropylsulfinyl)-N,N-dimethylbutanamide

4-(3-aminopropylsulfinyl)-N,N-dimethylbutanamide (PubChem CID 81187455) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 4-(3-aminopropylsulfinyl)-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-(3-aminopropylsulfinyl)-N,N-dimethylbutanamide
PubChem CID81187455
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name4-(3-aminopropylsulfinyl)-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCS(=O)CCCN
InChIInChI=1S/C9H20N2O2S/c1-11(2)9(12)5-3-7-14(13)8-4-6-10/h3-8,10H2,1-2H3
InChIKeyATWATPYFCZNFKW-UHFFFAOYSA-N
XLogP-0.05
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-aminopropylsulfinyl)-N,N-dimethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropylsulfinyl)-N,N-dimethylbutanamide?
The IUPAC name of 4-(3-aminopropylsulfinyl)-N,N-dimethylbutanamide (CID 81187455) is 4-(3-aminopropylsulfinyl)-N,N-dimethylbutanamide.
What is the SMILES notation for 4-(3-aminopropylsulfinyl)-N,N-dimethylbutanamide?
The canonical SMILES for 4-(3-aminopropylsulfinyl)-N,N-dimethylbutanamide is CN(C)C(=O)CCCS(=O)CCCN.
What is the InChIKey of 4-(3-aminopropylsulfinyl)-N,N-dimethylbutanamide?
The InChIKey is ATWATPYFCZNFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-11(2)9(12)5-3-7-14(13)8-4-6-10/h3-8,10H2,1-2H3.
What are the key properties of 4-(3-aminopropylsulfinyl)-N,N-dimethylbutanamide?
4-(3-aminopropylsulfinyl)-N,N-dimethylbutanamide has a molecular weight of 220.34 g/mol, XLogP of -0.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropylsulfinyl)-N,N-dimethylbutanamide is sourced from PubChem (CID 81187455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).