5-tert-butylsulfonyl-N-ethyl-3-methylpentan-2-amine

C12H27NO2S — CID 106727166

IUPAC5-tert-butylsulfonyl-N-ethyl-3-methylpentan-2-amine
SMILESCCNC(C)C(C)CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C12H27NO2S/c1-7-13-11(3)10(2)8-9-16(14,15)12(4,5)6/h10-11,13H,7-9H2,1-6H3
InChIKeyOJPYBODZEKASEI-UHFFFAOYSA-N
MW249.42 g/mol
LogP2.22
Rot. Bonds6

About 5-tert-butylsulfonyl-N-ethyl-3-methylpentan-2-amine

5-tert-butylsulfonyl-N-ethyl-3-methylpentan-2-amine (PubChem CID 106727166) has the molecular formula C12H27NO2S and a molecular weight of 249.42 g/mol. Its IUPAC name is 5-tert-butylsulfonyl-N-ethyl-3-methylpentan-2-amine.

Molecular Properties

Compound Name5-tert-butylsulfonyl-N-ethyl-3-methylpentan-2-amine
PubChem CID106727166
Molecular FormulaC12H27NO2S
Molecular Weight249.42 g/mol
Exact Mass249.18
IUPAC Name5-tert-butylsulfonyl-N-ethyl-3-methylpentan-2-amine
SMILESCCNC(C)C(C)CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C12H27NO2S/c1-7-13-11(3)10(2)8-9-16(14,15)12(4,5)6/h10-11,13H,7-9H2,1-6H3
InChIKeyOJPYBODZEKASEI-UHFFFAOYSA-N
XLogP2.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butylsulfonyl-3-ethyl-N-methylpentan-2-amine
CID 106727174
(2S,3R)-N-ethyl-3-methylhexan-2-amine
CID 51891368
2-(2-tert-butylsulfonylethyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 106730297
N-ethyl-6-methoxy-3,6-dimethylheptan-2-amine
CID 103034557
1-[1-(2-tert-butylsulfonylethyl)piperidin-3-yl]-N-ethylethanamine
CID 106721484
1-tert-butylsulfonyl-N-propylheptan-4-amine
CID 106727136
4-tert-butylsulfonyl-2-ethylbutan-1-amine
CID 106729540
N-(2-tert-butylsulfonylethyl)-1-cyclopropylethanamine
CID 115677017
N-ethyl-3-(2-ethylsulfonylethyl)-4-methylpentan-2-amine
CID 62913822
6-tert-butylsulfonyl-4-methylhexan-2-ol
CID 106732458
2-(2-tert-butylsulfonylethyl)-3-methylbutanoic acid
CID 106727780
2-(2-tert-butylsulfonylethyl)-3-methylbutan-1-ol
CID 106734343

Frequently Asked Questions

What is the IUPAC name of 5-tert-butylsulfonyl-N-ethyl-3-methylpentan-2-amine?
The IUPAC name of 5-tert-butylsulfonyl-N-ethyl-3-methylpentan-2-amine (CID 106727166) is 5-tert-butylsulfonyl-N-ethyl-3-methylpentan-2-amine.
What is the SMILES notation for 5-tert-butylsulfonyl-N-ethyl-3-methylpentan-2-amine?
The canonical SMILES for 5-tert-butylsulfonyl-N-ethyl-3-methylpentan-2-amine is CCNC(C)C(C)CCS(=O)(=O)C(C)(C)C.
What is the InChIKey of 5-tert-butylsulfonyl-N-ethyl-3-methylpentan-2-amine?
The InChIKey is OJPYBODZEKASEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2S/c1-7-13-11(3)10(2)8-9-16(14,15)12(4,5)6/h10-11,13H,7-9H2,1-6H3.
What are the key properties of 5-tert-butylsulfonyl-N-ethyl-3-methylpentan-2-amine?
5-tert-butylsulfonyl-N-ethyl-3-methylpentan-2-amine has a molecular weight of 249.42 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylsulfonyl-N-ethyl-3-methylpentan-2-amine is sourced from PubChem (CID 106727166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).