2-methyl-1-(2-propan-2-ylsulfonylethoxy)butan-2-amine

C10H23NO3S — CID 106726948

IUPAC2-methyl-1-(2-propan-2-ylsulfonylethoxy)butan-2-amine
SMILESCCC(C)(N)COCCS(=O)(=O)C(C)C
InChIInChI=1S/C10H23NO3S/c1-5-10(4,11)8-14-6-7-15(12,13)9(2)3/h9H,5-8,11H2,1-4H3
InChIKeyAWAIJEFEWPNJMP-UHFFFAOYSA-N
MW237.36 g/mol
LogP0.95
Rot. Bonds7

About 2-methyl-1-(2-propan-2-ylsulfonylethoxy)butan-2-amine

2-methyl-1-(2-propan-2-ylsulfonylethoxy)butan-2-amine (PubChem CID 106726948) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is 2-methyl-1-(2-propan-2-ylsulfonylethoxy)butan-2-amine.

Molecular Properties

Compound Name2-methyl-1-(2-propan-2-ylsulfonylethoxy)butan-2-amine
PubChem CID106726948
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC Name2-methyl-1-(2-propan-2-ylsulfonylethoxy)butan-2-amine
SMILESCCC(C)(N)COCCS(=O)(=O)C(C)C
InChIInChI=1S/C10H23NO3S/c1-5-10(4,11)8-14-6-7-15(12,13)9(2)3/h9H,5-8,11H2,1-4H3
InChIKeyAWAIJEFEWPNJMP-UHFFFAOYSA-N
XLogP0.95
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-tert-butylsulfonylethoxy)-2-methylbutan-2-amine
CID 106726947
3-(2-ethylsulfonylethoxymethyl)pentan-3-amine
CID 64572287
1-(3-methoxypropoxy)-2-methylbutan-2-amine
CID 64573392
3-(2-methylsulfonylethoxymethyl)pentan-3-amine
CID 64572497
2-ethyl-2-methyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106729796
1-(2-propan-2-ylsulfonylethoxymethyl)cycloheptan-1-amine
CID 106726951
3-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-3-amine
CID 103864804
2-methyl-1-(2-phenoxyethoxy)butan-2-amine
CID 64573594
2-methyl-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine
CID 106729782
2-(2-amino-2-methylbutoxy)-N-pentan-2-ylacetamide
CID 64574230
(2-amino-2-methylbutyl) methyl carbonate
CID 79336943
butyl 2-(2-amino-2-methylbutoxy)acetate
CID 106940097

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-propan-2-ylsulfonylethoxy)butan-2-amine?
The IUPAC name of 2-methyl-1-(2-propan-2-ylsulfonylethoxy)butan-2-amine (CID 106726948) is 2-methyl-1-(2-propan-2-ylsulfonylethoxy)butan-2-amine.
What is the SMILES notation for 2-methyl-1-(2-propan-2-ylsulfonylethoxy)butan-2-amine?
The canonical SMILES for 2-methyl-1-(2-propan-2-ylsulfonylethoxy)butan-2-amine is CCC(C)(N)COCCS(=O)(=O)C(C)C.
What is the InChIKey of 2-methyl-1-(2-propan-2-ylsulfonylethoxy)butan-2-amine?
The InChIKey is AWAIJEFEWPNJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-5-10(4,11)8-14-6-7-15(12,13)9(2)3/h9H,5-8,11H2,1-4H3.
What are the key properties of 2-methyl-1-(2-propan-2-ylsulfonylethoxy)butan-2-amine?
2-methyl-1-(2-propan-2-ylsulfonylethoxy)butan-2-amine has a molecular weight of 237.36 g/mol, XLogP of 0.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-propan-2-ylsulfonylethoxy)butan-2-amine is sourced from PubChem (CID 106726948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).