N-tert-butyl-2,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-amine

C15H33NO2S — CID 106730349

IUPACN-tert-butyl-2,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-amine
SMILESCCCS(=O)(=O)CCC(C)(CNC(C)(C)C)C(C)C
InChIInChI=1S/C15H33NO2S/c1-8-10-19(17,18)11-9-15(7,13(2)3)12-16-14(4,5)6/h13,16H,8-12H2,1-7H3
InChIKeyVOCAAMZRSIRIPI-UHFFFAOYSA-N
MW291.50 g/mol
LogP3.25
Rot. Bonds8

About N-tert-butyl-2,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-amine

N-tert-butyl-2,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-amine (PubChem CID 106730349) has the molecular formula C15H33NO2S and a molecular weight of 291.50 g/mol. Its IUPAC name is N-tert-butyl-2,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-amine
PubChem CID106730349
Molecular FormulaC15H33NO2S
Molecular Weight291.50 g/mol
Exact Mass291.22
IUPAC NameN-tert-butyl-2,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-amine
SMILESCCCS(=O)(=O)CCC(C)(CNC(C)(C)C)C(C)C
InChIInChI=1S/C15H33NO2S/c1-8-10-19(17,18)11-9-15(7,13(2)3)12-16-14(4,5)6/h13,16H,8-12H2,1-7H3
InChIKeyVOCAAMZRSIRIPI-UHFFFAOYSA-N
XLogP3.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

N-tert-butyl-2-(2-tert-butylsulfonylethyl)-2,3-dimethylbutan-1-amine
CID 106730348
N-tert-butyl-2-methyl-2-propan-2-ylheptan-1-amine
CID 83150707
N-tert-butyl-2-methyl-2-propan-2-yldecan-1-amine
CID 83151435
3-(aminomethyl)-3-methyl-5-propylsulfonylpentan-2-ol
CID 106734029
N-tert-butyl-2,3-dimethyl-2-(2-propan-2-yloxyethyl)butan-1-amine
CID 83150555
N-ethyl-2,2-dimethyl-4-propylsulfonylbutan-1-amine
CID 106729808
1-propylsulfonylpropane
CID 11709
N-tert-butyl-2,3-dimethyl-2-[2-(2-methylpropoxy)ethyl]butan-1-amine
CID 106457269
3-methyl-3-(2-propylsulfonylethylamino)butan-2-ol
CID 106724525
N-tert-butyl-2-methyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 83151556
2-methyl-1-propylsulfonylpropan-2-amine
CID 81189137
N-(2,2-diethyl-4-propylsulfonylbutyl)cyclopropanamine
CID 106729943

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-amine?
The IUPAC name of N-tert-butyl-2,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-amine (CID 106730349) is N-tert-butyl-2,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-amine.
What is the SMILES notation for N-tert-butyl-2,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-amine?
The canonical SMILES for N-tert-butyl-2,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-amine is CCCS(=O)(=O)CCC(C)(CNC(C)(C)C)C(C)C.
What is the InChIKey of N-tert-butyl-2,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-amine?
The InChIKey is VOCAAMZRSIRIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2S/c1-8-10-19(17,18)11-9-15(7,13(2)3)12-16-14(4,5)6/h13,16H,8-12H2,1-7H3.
What are the key properties of N-tert-butyl-2,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-amine?
N-tert-butyl-2,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-amine has a molecular weight of 291.50 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-amine is sourced from PubChem (CID 106730349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).