4-ethylsulfonyl-2,2-dimethyl-N-propylbutan-1-amine

C11H25NO2S — CID 62724939

IUPAC4-ethylsulfonyl-2,2-dimethyl-N-propylbutan-1-amine
SMILESCCCNCC(C)(C)CCS(=O)(=O)CC
InChIInChI=1S/C11H25NO2S/c1-5-8-12-10-11(3,4)7-9-15(13,14)6-2/h12H,5-10H2,1-4H3
InChIKeyPAFZVAZQXVTWDU-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.84
Rot. Bonds8

About 4-ethylsulfonyl-2,2-dimethyl-N-propylbutan-1-amine

4-ethylsulfonyl-2,2-dimethyl-N-propylbutan-1-amine (PubChem CID 62724939) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is 4-ethylsulfonyl-2,2-dimethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-ethylsulfonyl-2,2-dimethyl-N-propylbutan-1-amine
PubChem CID62724939
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC Name4-ethylsulfonyl-2,2-dimethyl-N-propylbutan-1-amine
SMILESCCCNCC(C)(C)CCS(=O)(=O)CC
InChIInChI=1S/C11H25NO2S/c1-5-8-12-10-11(3,4)7-9-15(13,14)6-2/h12H,5-10H2,1-4H3
InChIKeyPAFZVAZQXVTWDU-UHFFFAOYSA-N
XLogP1.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-ethylsulfonyl-2,2-dimethyl-N-propylbutan-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

Related Compounds

N-ethyl-4-ethylsulfonyl-2,2-dimethylbutan-1-amine
CID 62724123
4-ethylsulfonyl-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 62726162
N-ethyl-2,2-dimethyl-4-propylsulfonylbutan-1-amine
CID 106729808
4-chloro-N-(3-ethylsulfonylpropyl)-2,2-dimethylbutan-1-amine
CID 106140512
6-ethylsulfonyl-3,3-dimethyl-N-propylhexan-1-amine
CID 81022072
5-(2-ethylsulfonylethylamino)-4,4-dimethylpentanenitrile
CID 115653244
2,2-dimethyl-N-propyltetradecan-1-amine
CID 63521984
2,2-dimethyl-N-propyloctan-1-amine
CID 63522518
2-methyl-2-(2-methylsulfonylethyl)-N-propylpentan-1-amine
CID 62723813
2,2,4,4-tetramethyl-N-propylpentan-1-amine
CID 177180730
4-tert-butylsulfonyl-2-methyl-1-(propylamino)butan-2-ol
CID 106734264
2,2,4-trimethyl-N-propylhexan-1-amine
CID 62724538

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-2,2-dimethyl-N-propylbutan-1-amine?
The IUPAC name of 4-ethylsulfonyl-2,2-dimethyl-N-propylbutan-1-amine (CID 62724939) is 4-ethylsulfonyl-2,2-dimethyl-N-propylbutan-1-amine.
What is the SMILES notation for 4-ethylsulfonyl-2,2-dimethyl-N-propylbutan-1-amine?
The canonical SMILES for 4-ethylsulfonyl-2,2-dimethyl-N-propylbutan-1-amine is CCCNCC(C)(C)CCS(=O)(=O)CC.
What is the InChIKey of 4-ethylsulfonyl-2,2-dimethyl-N-propylbutan-1-amine?
The InChIKey is PAFZVAZQXVTWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-5-8-12-10-11(3,4)7-9-15(13,14)6-2/h12H,5-10H2,1-4H3.
What are the key properties of 4-ethylsulfonyl-2,2-dimethyl-N-propylbutan-1-amine?
4-ethylsulfonyl-2,2-dimethyl-N-propylbutan-1-amine has a molecular weight of 235.39 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-2,2-dimethyl-N-propylbutan-1-amine is sourced from PubChem (CID 62724939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).