2-(2-tert-butylsulfonylethyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine

C15H33NO2S — CID 106730297

IUPAC2-(2-tert-butylsulfonylethyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(CCS(=O)(=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H33NO2S/c1-12(2)16-11-13(14(3,4)5)9-10-19(17,18)15(6,7)8/h12-13,16H,9-11H2,1-8H3
InChIKeySSVUUMQEXPDXEV-UHFFFAOYSA-N
MW291.50 g/mol
LogP3.25
Rot. Bonds6

About 2-(2-tert-butylsulfonylethyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine

2-(2-tert-butylsulfonylethyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine (PubChem CID 106730297) has the molecular formula C15H33NO2S and a molecular weight of 291.50 g/mol. Its IUPAC name is 2-(2-tert-butylsulfonylethyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-(2-tert-butylsulfonylethyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
PubChem CID106730297
Molecular FormulaC15H33NO2S
Molecular Weight291.50 g/mol
Exact Mass291.22
IUPAC Name2-(2-tert-butylsulfonylethyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(CCS(=O)(=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H33NO2S/c1-12(2)16-11-13(14(3,4)5)9-10-19(17,18)15(6,7)8/h12-13,16H,9-11H2,1-8H3
InChIKeySSVUUMQEXPDXEV-UHFFFAOYSA-N
XLogP3.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.50
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butylsulfonyl-N-ethyl-3-methylpentan-2-amine
CID 106727166
2-(2-ethoxyethyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 83139517
2-(2-tert-butylsulfonylethyl)-3-methylbutan-1-ol
CID 106734343
2-(2-tert-butylsulfonylethyl)-3-methylbutanoic acid
CID 106727780
N-tert-butyl-3,3-dimethyl-2-(2-methylsulfonylethyl)butan-1-amine
CID 83138361
3,3-dimethyl-2-(2-phenylsulfanylethyl)-N-propan-2-ylbutan-1-amine
CID 83139032
N-(2-tert-butylsulfonylethyl)-1-chloro-4-methylpentan-3-amine
CID 106353871
N-[[2-(2-tert-butylsulfonylethyl)cyclobutyl]methyl]propan-2-amine
CID 106735451
2-(2-tert-butylsulfonylethylamino)-3-methylbutan-1-ol
CID 106723969
5-tert-butylsulfonyl-3-ethyl-N-methylpentan-2-amine
CID 106727174
6-tert-butylsulfonyl-4-methylhexan-2-ol
CID 106732458
N-[[1-(2-tert-butylsulfonylethyl)cyclohexyl]methyl]propan-2-amine
CID 106729852

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylsulfonylethyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-(2-tert-butylsulfonylethyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine (CID 106730297) is 2-(2-tert-butylsulfonylethyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-(2-tert-butylsulfonylethyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-(2-tert-butylsulfonylethyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine is CC(C)NCC(CCS(=O)(=O)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2-(2-tert-butylsulfonylethyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine?
The InChIKey is SSVUUMQEXPDXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2S/c1-12(2)16-11-13(14(3,4)5)9-10-19(17,18)15(6,7)8/h12-13,16H,9-11H2,1-8H3.
What are the key properties of 2-(2-tert-butylsulfonylethyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine?
2-(2-tert-butylsulfonylethyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine has a molecular weight of 291.50 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylsulfonylethyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 106730297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).