N-ethyl-1-methylsulfonyldodecan-4-amine

C15H33NO2S — CID 115820985

IUPACN-ethyl-1-methylsulfonyldodecan-4-amine
SMILESCCCCCCCCC(CCCS(C)(=O)=O)NCC
InChIInChI=1S/C15H33NO2S/c1-4-6-7-8-9-10-12-15(16-5-2)13-11-14-19(3,17)18/h15-16H,4-14H2,1-3H3
InChIKeyGQETZMKHTLKCPB-UHFFFAOYSA-N
MW291.50 g/mol
LogP3.54
Rot. Bonds13

About N-ethyl-1-methylsulfonyldodecan-4-amine

N-ethyl-1-methylsulfonyldodecan-4-amine (PubChem CID 115820985) has the molecular formula C15H33NO2S and a molecular weight of 291.50 g/mol. Its IUPAC name is N-ethyl-1-methylsulfonyldodecan-4-amine.

Molecular Properties

Compound NameN-ethyl-1-methylsulfonyldodecan-4-amine
PubChem CID115820985
Molecular FormulaC15H33NO2S
Molecular Weight291.50 g/mol
Exact Mass291.22
IUPAC NameN-ethyl-1-methylsulfonyldodecan-4-amine
SMILESCCCCCCCCC(CCCS(C)(=O)=O)NCC
InChIInChI=1S/C15H33NO2S/c1-4-6-7-8-9-10-12-15(16-5-2)13-11-14-19(3,17)18/h15-16H,4-14H2,1-3H3
InChIKeyGQETZMKHTLKCPB-UHFFFAOYSA-N
XLogP3.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.50
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-methylsulfonylnonan-4-amine
CID 115820293
N-ethyl-1-ethylsulfonyldecan-4-amine
CID 115865211
N-ethyltetradecan-7-amine
CID 87847195
1-ethoxy-N-ethyl-7-methylsulfonylheptan-4-amine
CID 105112924
7-(3-methylsulfonylpropyl)tridecane
CID 134251360
N-ethylhexadecan-4-amine
CID 63413885
N-ethyldecan-5-amine
CID 79405026
N-ethyl-1,1,1-trifluoro-6-methylsulfonylhexan-3-amine
CID 63192586
N-ethylnonan-3-amine
CID 60996683
N-(3-methylsulfonylpropyl)octan-2-amine
CID 61019374
1-methylsulfonylnonane
CID 19089493
N-ethyl-2-methylheptadecan-6-amine
CID 105028964

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methylsulfonyldodecan-4-amine?
The IUPAC name of N-ethyl-1-methylsulfonyldodecan-4-amine (CID 115820985) is N-ethyl-1-methylsulfonyldodecan-4-amine.
What is the SMILES notation for N-ethyl-1-methylsulfonyldodecan-4-amine?
The canonical SMILES for N-ethyl-1-methylsulfonyldodecan-4-amine is CCCCCCCCC(CCCS(C)(=O)=O)NCC.
What is the InChIKey of N-ethyl-1-methylsulfonyldodecan-4-amine?
The InChIKey is GQETZMKHTLKCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2S/c1-4-6-7-8-9-10-12-15(16-5-2)13-11-14-19(3,17)18/h15-16H,4-14H2,1-3H3.
What are the key properties of N-ethyl-1-methylsulfonyldodecan-4-amine?
N-ethyl-1-methylsulfonyldodecan-4-amine has a molecular weight of 291.50 g/mol, XLogP of 3.54, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methylsulfonyldodecan-4-amine is sourced from PubChem (CID 115820985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).