N-tert-butyl-2-ethyl-2-methyl-5-methylsulfonylpentan-1-amine

C13H29NO2S — CID 63195562

IUPACN-tert-butyl-2-ethyl-2-methyl-5-methylsulfonylpentan-1-amine
SMILESCCC(C)(CCCS(C)(=O)=O)CNC(C)(C)C
InChIInChI=1S/C13H29NO2S/c1-7-13(5,11-14-12(2,3)4)9-8-10-17(6,15)16/h14H,7-11H2,1-6H3
InChIKeyJXDFWJAWUDKDGM-UHFFFAOYSA-N
MW263.45 g/mol
LogP2.62
Rot. Bonds7

About N-tert-butyl-2-ethyl-2-methyl-5-methylsulfonylpentan-1-amine

N-tert-butyl-2-ethyl-2-methyl-5-methylsulfonylpentan-1-amine (PubChem CID 63195562) has the molecular formula C13H29NO2S and a molecular weight of 263.45 g/mol. Its IUPAC name is N-tert-butyl-2-ethyl-2-methyl-5-methylsulfonylpentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-ethyl-2-methyl-5-methylsulfonylpentan-1-amine
PubChem CID63195562
Molecular FormulaC13H29NO2S
Molecular Weight263.45 g/mol
Exact Mass263.19
IUPAC NameN-tert-butyl-2-ethyl-2-methyl-5-methylsulfonylpentan-1-amine
SMILESCCC(C)(CCCS(C)(=O)=O)CNC(C)(C)C
InChIInChI=1S/C13H29NO2S/c1-7-13(5,11-14-12(2,3)4)9-8-10-17(6,15)16/h14H,7-11H2,1-6H3
InChIKeyJXDFWJAWUDKDGM-UHFFFAOYSA-N
XLogP2.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-ethyl-2-methylheptan-1-amine
CID 63508148
N-tert-butyl-2-ethyl-2-methylbutan-1-amine
CID 62724057
2-methyl-5-methylsulfonyl-2-propylpentan-1-ol
CID 66025452
2-methyl-N-(2-methylpropyl)-5-methylsulfonyl-2-propylpentan-1-amine
CID 55161198
N,2,2-triethyl-5-methylsulfonylpentan-1-amine
CID 63196072
N-(2-ethyl-5-ethylsulfonyl-2-methylpentyl)cyclopropanamine
CID 65096971
2-methyl-N-(2-methylsulfonylethyl)butan-2-amine
CID 60915670
2-ethyl-2-methyl-4-methylsulfonylbutan-1-amine
CID 62724307
1,1,1-trifluoro-4-methylsulfonylbutane
CID 89466029
N'-tert-butyl-N-(2-methylsulfonylethyl)propane-1,3-diamine
CID 115577345
2-ethyl-2-fluoro-5-methylsulfonylpentan-1-amine
CID 112565951
4,5-dimethyl-1-methylsulfonylheptan-4-amine
CID 63192481

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-ethyl-2-methyl-5-methylsulfonylpentan-1-amine?
The IUPAC name of N-tert-butyl-2-ethyl-2-methyl-5-methylsulfonylpentan-1-amine (CID 63195562) is N-tert-butyl-2-ethyl-2-methyl-5-methylsulfonylpentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-ethyl-2-methyl-5-methylsulfonylpentan-1-amine?
The canonical SMILES for N-tert-butyl-2-ethyl-2-methyl-5-methylsulfonylpentan-1-amine is CCC(C)(CCCS(C)(=O)=O)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-ethyl-2-methyl-5-methylsulfonylpentan-1-amine?
The InChIKey is JXDFWJAWUDKDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2S/c1-7-13(5,11-14-12(2,3)4)9-8-10-17(6,15)16/h14H,7-11H2,1-6H3.
What are the key properties of N-tert-butyl-2-ethyl-2-methyl-5-methylsulfonylpentan-1-amine?
N-tert-butyl-2-ethyl-2-methyl-5-methylsulfonylpentan-1-amine has a molecular weight of 263.45 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-ethyl-2-methyl-5-methylsulfonylpentan-1-amine is sourced from PubChem (CID 63195562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).