4-(2-methoxyethylsulfonyl)-2,2-dimethylbutan-1-amine

C9H21NO3S — CID 65256447

IUPAC4-(2-methoxyethylsulfonyl)-2,2-dimethylbutan-1-amine
SMILESCOCCS(=O)(=O)CCC(C)(C)CN
InChIInChI=1S/C9H21NO3S/c1-9(2,8-10)4-6-14(11,12)7-5-13-3/h4-8,10H2,1-3H3
InChIKeyKWWUUMMZECBJGQ-UHFFFAOYSA-N
MW223.34 g/mol
LogP0.42
Rot. Bonds7

About 4-(2-methoxyethylsulfonyl)-2,2-dimethylbutan-1-amine

4-(2-methoxyethylsulfonyl)-2,2-dimethylbutan-1-amine (PubChem CID 65256447) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 4-(2-methoxyethylsulfonyl)-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(2-methoxyethylsulfonyl)-2,2-dimethylbutan-1-amine
PubChem CID65256447
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC Name4-(2-methoxyethylsulfonyl)-2,2-dimethylbutan-1-amine
SMILESCOCCS(=O)(=O)CCC(C)(C)CN
InChIInChI=1S/C9H21NO3S/c1-9(2,8-10)4-6-14(11,12)7-5-13-3/h4-8,10H2,1-3H3
InChIKeyKWWUUMMZECBJGQ-UHFFFAOYSA-N
XLogP0.42
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-methoxyethylsulfonyl)-2,2-dimethylbutan-1-amine 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-methoxyethylsulfonyl)-2,2-dimethylbutan-1-amine?
The IUPAC name of 4-(2-methoxyethylsulfonyl)-2,2-dimethylbutan-1-amine (CID 65256447) is 4-(2-methoxyethylsulfonyl)-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 4-(2-methoxyethylsulfonyl)-2,2-dimethylbutan-1-amine?
The canonical SMILES for 4-(2-methoxyethylsulfonyl)-2,2-dimethylbutan-1-amine is COCCS(=O)(=O)CCC(C)(C)CN.
What is the InChIKey of 4-(2-methoxyethylsulfonyl)-2,2-dimethylbutan-1-amine?
The InChIKey is KWWUUMMZECBJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3S/c1-9(2,8-10)4-6-14(11,12)7-5-13-3/h4-8,10H2,1-3H3.
What are the key properties of 4-(2-methoxyethylsulfonyl)-2,2-dimethylbutan-1-amine?
4-(2-methoxyethylsulfonyl)-2,2-dimethylbutan-1-amine has a molecular weight of 223.34 g/mol, XLogP of 0.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylsulfonyl)-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 65256447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).