4-(2-aminoethylsulfonyl)-N,N-dimethylbutanamide

C8H18N2O3S — CID 81175734

IUPAC4-(2-aminoethylsulfonyl)-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCS(=O)(=O)CCN
InChIInChI=1S/C8H18N2O3S/c1-10(2)8(11)4-3-6-14(12,13)7-5-9/h3-7,9H2,1-2H3
InChIKeyKQUYNFPPOYIMKS-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.77
Rot. Bonds6

About 4-(2-aminoethylsulfonyl)-N,N-dimethylbutanamide

4-(2-aminoethylsulfonyl)-N,N-dimethylbutanamide (PubChem CID 81175734) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is 4-(2-aminoethylsulfonyl)-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-(2-aminoethylsulfonyl)-N,N-dimethylbutanamide
PubChem CID81175734
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name4-(2-aminoethylsulfonyl)-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCS(=O)(=O)CCN
InChIInChI=1S/C8H18N2O3S/c1-10(2)8(11)4-3-6-14(12,13)7-5-9/h3-7,9H2,1-2H3
InChIKeyKQUYNFPPOYIMKS-UHFFFAOYSA-N
XLogP-0.77
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-aminoethylsulfonyl)-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-(2-aminoethylsulfonyl)-N,N-dimethylbutanamide?
The IUPAC name of 4-(2-aminoethylsulfonyl)-N,N-dimethylbutanamide (CID 81175734) is 4-(2-aminoethylsulfonyl)-N,N-dimethylbutanamide.
What is the SMILES notation for 4-(2-aminoethylsulfonyl)-N,N-dimethylbutanamide?
The canonical SMILES for 4-(2-aminoethylsulfonyl)-N,N-dimethylbutanamide is CN(C)C(=O)CCCS(=O)(=O)CCN.
What is the InChIKey of 4-(2-aminoethylsulfonyl)-N,N-dimethylbutanamide?
The InChIKey is KQUYNFPPOYIMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-10(2)8(11)4-3-6-14(12,13)7-5-9/h3-7,9H2,1-2H3.
What are the key properties of 4-(2-aminoethylsulfonyl)-N,N-dimethylbutanamide?
4-(2-aminoethylsulfonyl)-N,N-dimethylbutanamide has a molecular weight of 222.31 g/mol, XLogP of -0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethylsulfonyl)-N,N-dimethylbutanamide is sourced from PubChem (CID 81175734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).