N,5,7,7-tetramethyl-1-methylsulfonyloctan-3-amine

C13H29NO2S — CID 115848597

IUPACN,5,7,7-tetramethyl-1-methylsulfonyloctan-3-amine
SMILESCNC(CCS(C)(=O)=O)CC(C)CC(C)(C)C
InChIInChI=1S/C13H29NO2S/c1-11(10-13(2,3)4)9-12(14-5)7-8-17(6,15)16/h11-12,14H,7-10H2,1-6H3
InChIKeyLBNBOXQVAPVZLV-UHFFFAOYSA-N
MW263.45 g/mol
LogP2.47
Rot. Bonds7

About N,5,7,7-tetramethyl-1-methylsulfonyloctan-3-amine

N,5,7,7-tetramethyl-1-methylsulfonyloctan-3-amine (PubChem CID 115848597) has the molecular formula C13H29NO2S and a molecular weight of 263.45 g/mol. Its IUPAC name is N,5,7,7-tetramethyl-1-methylsulfonyloctan-3-amine.

Molecular Properties

Compound NameN,5,7,7-tetramethyl-1-methylsulfonyloctan-3-amine
PubChem CID115848597
Molecular FormulaC13H29NO2S
Molecular Weight263.45 g/mol
Exact Mass263.19
IUPAC NameN,5,7,7-tetramethyl-1-methylsulfonyloctan-3-amine
SMILESCNC(CCS(C)(=O)=O)CC(C)CC(C)(C)C
InChIInChI=1S/C13H29NO2S/c1-11(10-13(2,3)4)9-12(14-5)7-8-17(6,15)16/h11-12,14H,7-10H2,1-6H3
InChIKeyLBNBOXQVAPVZLV-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-methyl-1-methylsulfonylheptan-3-amine
CID 79405764
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CID 115848324
3-methyl-1-methylsulfonylbutane
CID 20712453
N,7,9,9-tetramethyl-3-methylidenedecan-5-amine
CID 105006137
N-tert-butyl-2-methyl-4-methylsulfonylbutan-1-amine
CID 62528090
N-methyl-4-methylsulfonyl-1-[4-(trifluoromethyl)phenyl]butan-2-amine
CID 115848283
N,4-dimethyl-7-methylsulfonylheptan-2-amine
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Frequently Asked Questions

What is the IUPAC name of N,5,7,7-tetramethyl-1-methylsulfonyloctan-3-amine?
The IUPAC name of N,5,7,7-tetramethyl-1-methylsulfonyloctan-3-amine (CID 115848597) is N,5,7,7-tetramethyl-1-methylsulfonyloctan-3-amine.
What is the SMILES notation for N,5,7,7-tetramethyl-1-methylsulfonyloctan-3-amine?
The canonical SMILES for N,5,7,7-tetramethyl-1-methylsulfonyloctan-3-amine is CNC(CCS(C)(=O)=O)CC(C)CC(C)(C)C.
What is the InChIKey of N,5,7,7-tetramethyl-1-methylsulfonyloctan-3-amine?
The InChIKey is LBNBOXQVAPVZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2S/c1-11(10-13(2,3)4)9-12(14-5)7-8-17(6,15)16/h11-12,14H,7-10H2,1-6H3.
What are the key properties of N,5,7,7-tetramethyl-1-methylsulfonyloctan-3-amine?
N,5,7,7-tetramethyl-1-methylsulfonyloctan-3-amine has a molecular weight of 263.45 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,7,7-tetramethyl-1-methylsulfonyloctan-3-amine is sourced from PubChem (CID 115848597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).