N,2,7-trimethyl-2-methylsulfonyloctan-3-amine

C12H27NO2S — CID 105028788

IUPACN,2,7-trimethyl-2-methylsulfonyloctan-3-amine
SMILESCNC(CCCC(C)C)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C12H27NO2S/c1-10(2)8-7-9-11(13-5)12(3,4)16(6,14)15/h10-11,13H,7-9H2,1-6H3
InChIKeyDOWUWDXXNFYIFB-UHFFFAOYSA-N
MW249.42 g/mol
LogP2.22
Rot. Bonds7

About N,2,7-trimethyl-2-methylsulfonyloctan-3-amine

N,2,7-trimethyl-2-methylsulfonyloctan-3-amine (PubChem CID 105028788) has the molecular formula C12H27NO2S and a molecular weight of 249.42 g/mol. Its IUPAC name is N,2,7-trimethyl-2-methylsulfonyloctan-3-amine.

Molecular Properties

Compound NameN,2,7-trimethyl-2-methylsulfonyloctan-3-amine
PubChem CID105028788
Molecular FormulaC12H27NO2S
Molecular Weight249.42 g/mol
Exact Mass249.18
IUPAC NameN,2,7-trimethyl-2-methylsulfonyloctan-3-amine
SMILESCNC(CCCC(C)C)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C12H27NO2S/c1-10(2)8-7-9-11(13-5)12(3,4)16(6,14)15/h10-11,13H,7-9H2,1-6H3
InChIKeyDOWUWDXXNFYIFB-UHFFFAOYSA-N
XLogP2.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

(2,7-dimethyl-2-methylsulfonyloctan-3-yl)hydrazine
CID 105331426
N,2,6-trimethyl-2-methylsulfonylhept-6-en-3-amine
CID 105039485
N,2-dimethyl-2-methylsulfonylhept-5-yn-3-amine
CID 115819643
1,1,1-trifluoro-N,6-dimethylheptan-2-amine
CID 105029014
(7,7,7-trifluoro-2-methyl-2-methylsulfonylheptan-3-yl)hydrazine
CID 105329070
N-ethyl-2,5,7-trimethyl-2-methylsulfonyloctan-3-amine
CID 114201731
2,5-dimethyl-2-methylsulfonyl-N-propyloctan-3-amine
CID 115845249
N,3-dimethyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-methylsulfonylbutan-2-amine
CID 105000003
2-(azepan-1-yl)-N,2,7-trimethyloctan-3-amine
CID 83161902
N,2,7-trimethyl-2-piperidin-1-yloctan-3-amine
CID 83161164
5-methoxy-N,5-dimethyl-1-methylsulfonylheptan-4-amine
CID 116757678
3-methyl-1-methylsulfonylbutane
CID 20712453

Frequently Asked Questions

What is the IUPAC name of N,2,7-trimethyl-2-methylsulfonyloctan-3-amine?
The IUPAC name of N,2,7-trimethyl-2-methylsulfonyloctan-3-amine (CID 105028788) is N,2,7-trimethyl-2-methylsulfonyloctan-3-amine.
What is the SMILES notation for N,2,7-trimethyl-2-methylsulfonyloctan-3-amine?
The canonical SMILES for N,2,7-trimethyl-2-methylsulfonyloctan-3-amine is CNC(CCCC(C)C)C(C)(C)S(C)(=O)=O.
What is the InChIKey of N,2,7-trimethyl-2-methylsulfonyloctan-3-amine?
The InChIKey is DOWUWDXXNFYIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2S/c1-10(2)8-7-9-11(13-5)12(3,4)16(6,14)15/h10-11,13H,7-9H2,1-6H3.
What are the key properties of N,2,7-trimethyl-2-methylsulfonyloctan-3-amine?
N,2,7-trimethyl-2-methylsulfonyloctan-3-amine has a molecular weight of 249.42 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,7-trimethyl-2-methylsulfonyloctan-3-amine is sourced from PubChem (CID 105028788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).