N-(3-ethylsulfonylpropyl)-3,3-dimethylbutan-2-amine

C11H25NO2S — CID 115647762

IUPACN-(3-ethylsulfonylpropyl)-3,3-dimethylbutan-2-amine
SMILESCCS(=O)(=O)CCCNC(C)C(C)(C)C
InChIInChI=1S/C11H25NO2S/c1-6-15(13,14)9-7-8-12-10(2)11(3,4)5/h10,12H,6-9H2,1-5H3
InChIKeyJOWVUIJTMOFISE-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.84
Rot. Bonds6

About N-(3-ethylsulfonylpropyl)-3,3-dimethylbutan-2-amine

N-(3-ethylsulfonylpropyl)-3,3-dimethylbutan-2-amine (PubChem CID 115647762) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is N-(3-ethylsulfonylpropyl)-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-(3-ethylsulfonylpropyl)-3,3-dimethylbutan-2-amine
PubChem CID115647762
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC NameN-(3-ethylsulfonylpropyl)-3,3-dimethylbutan-2-amine
SMILESCCS(=O)(=O)CCCNC(C)C(C)(C)C
InChIInChI=1S/C11H25NO2S/c1-6-15(13,14)9-7-8-12-10(2)11(3,4)5/h10,12H,6-9H2,1-5H3
InChIKeyJOWVUIJTMOFISE-UHFFFAOYSA-N
XLogP1.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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 N-(3-ethylsulfonylpropyl)-3,3-dimethylbutan-2-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

3-(Butylamino)-1lambda6-thiolane-1,1-dione
CID 2831159
3-(Isobutylamino)tetrahydrothiophene 1,1-dioxide hydrochloride
CID 16187048
[1-(Ethanesulfonyl)propan-2-yl](ethyl)amine
CID 54593046
3-(Isobutylamino)tetrahydrothiophene 1,1-dioxide
CID 3113026
3-tert-Butyl-1lambda6-thiomorpholine-1,1-dione
CID 64437763
1-ethylsulfonyl-N-(3-fluoropropyl)propan-2-amine
CID 115901521
N-(2-methylpropyl)-1,1-dioxothiolan-3-amine chloride
CID 21179737
3-[(Butan-2-yl)amino]-1lambda6-thiolane-1,1-dione
CID 2980300
(3R)-N-(2-methylpropyl)-1,1-dioxothiolan-3-amine
CID 7047408
(3S)-N-(2-methylpropyl)-1,1-dioxothiolan-3-amine
CID 7058958
3-[[(2S)-3,3-dimethylbutan-2-yl]amino]propane-1-sulfonic acid
CID 11976580
N-(2-methylbutan-2-yl)-1,1-dioxothiolan-3-amine
CID 16786794

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfonylpropyl)-3,3-dimethylbutan-2-amine?
The IUPAC name of N-(3-ethylsulfonylpropyl)-3,3-dimethylbutan-2-amine (CID 115647762) is N-(3-ethylsulfonylpropyl)-3,3-dimethylbutan-2-amine.
What is the SMILES notation for N-(3-ethylsulfonylpropyl)-3,3-dimethylbutan-2-amine?
The canonical SMILES for N-(3-ethylsulfonylpropyl)-3,3-dimethylbutan-2-amine is CCS(=O)(=O)CCCNC(C)C(C)(C)C.
What is the InChIKey of N-(3-ethylsulfonylpropyl)-3,3-dimethylbutan-2-amine?
The InChIKey is JOWVUIJTMOFISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-6-15(13,14)9-7-8-12-10(2)11(3,4)5/h10,12H,6-9H2,1-5H3.
What are the key properties of N-(3-ethylsulfonylpropyl)-3,3-dimethylbutan-2-amine?
N-(3-ethylsulfonylpropyl)-3,3-dimethylbutan-2-amine has a molecular weight of 235.39 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfonylpropyl)-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 115647762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).