3-methoxy-3-methyl-N-(2-methylsulfonylethyl)butan-1-amine

C9H21NO3S — CID 103033177

IUPAC3-methoxy-3-methyl-N-(2-methylsulfonylethyl)butan-1-amine
SMILESCOC(C)(C)CCNCCS(C)(=O)=O
InChIInChI=1S/C9H21NO3S/c1-9(2,13-3)5-6-10-7-8-14(4,11)12/h10H,5-8H2,1-4H3
InChIKeyILPMDROPTSWXSQ-UHFFFAOYSA-N
MW223.34 g/mol
LogP0.44
Rot. Bonds7

About 3-methoxy-3-methyl-N-(2-methylsulfonylethyl)butan-1-amine

3-methoxy-3-methyl-N-(2-methylsulfonylethyl)butan-1-amine (PubChem CID 103033177) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 3-methoxy-3-methyl-N-(2-methylsulfonylethyl)butan-1-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-N-(2-methylsulfonylethyl)butan-1-amine
PubChem CID103033177
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC Name3-methoxy-3-methyl-N-(2-methylsulfonylethyl)butan-1-amine
SMILESCOC(C)(C)CCNCCS(C)(=O)=O
InChIInChI=1S/C9H21NO3S/c1-9(2,13-3)5-6-10-7-8-14(4,11)12/h10H,5-8H2,1-4H3
InChIKeyILPMDROPTSWXSQ-UHFFFAOYSA-N
XLogP0.44
TPSA55.40 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 ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methoxy-3-methyl-N-(2-methylsulfonylethyl)butan-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

3-methoxy-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 103019869
3-methoxy-3-methyl-1-(2-methyl-4-methylsulfonylbutan-2-yl)oxybutane
CID 167212382
5-[(3-methoxy-3-methylbutyl)amino]pentan-2-ol
CID 106122501
N-[2-(2-methoxyethylsulfonyl)ethyl]-3,3-dimethylbutan-1-amine
CID 106513199
N'-tert-butyl-N-(2-methylsulfonylethyl)propane-1,3-diamine
CID 115577345
N-(3-methoxy-3-methylbutyl)-4-methylpentan-1-amine
CID 103033199
N-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 62560122
N-(2-iodoethyl)-2-methylsulfonylethanamine
CID 114505554
2,2-dimethyl-5-(2-methylsulfonylethylamino)pentanenitrile
CID 65253811
N-(3-methoxy-3-methylbutyl)-N',N'-dimethylpropane-1,3-diamine
CID 103020038
N-(5-chloropentyl)-3-methoxy-3-methylbutan-1-amine
CID 107319870
N-(3-methoxy-3-methylbutyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 103033282

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-N-(2-methylsulfonylethyl)butan-1-amine?
The IUPAC name of 3-methoxy-3-methyl-N-(2-methylsulfonylethyl)butan-1-amine (CID 103033177) is 3-methoxy-3-methyl-N-(2-methylsulfonylethyl)butan-1-amine.
What is the SMILES notation for 3-methoxy-3-methyl-N-(2-methylsulfonylethyl)butan-1-amine?
The canonical SMILES for 3-methoxy-3-methyl-N-(2-methylsulfonylethyl)butan-1-amine is COC(C)(C)CCNCCS(C)(=O)=O.
What is the InChIKey of 3-methoxy-3-methyl-N-(2-methylsulfonylethyl)butan-1-amine?
The InChIKey is ILPMDROPTSWXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3S/c1-9(2,13-3)5-6-10-7-8-14(4,11)12/h10H,5-8H2,1-4H3.
What are the key properties of 3-methoxy-3-methyl-N-(2-methylsulfonylethyl)butan-1-amine?
3-methoxy-3-methyl-N-(2-methylsulfonylethyl)butan-1-amine has a molecular weight of 223.34 g/mol, XLogP of 0.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-N-(2-methylsulfonylethyl)butan-1-amine is sourced from PubChem (CID 103033177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).