N-ethyl-1-ethylsulfonyldecan-4-amine

C14H31NO2S — CID 115865211

IUPACN-ethyl-1-ethylsulfonyldecan-4-amine
SMILESCCCCCCC(CCCS(=O)(=O)CC)NCC
InChIInChI=1S/C14H31NO2S/c1-4-7-8-9-11-14(15-5-2)12-10-13-18(16,17)6-3/h14-15H,4-13H2,1-3H3
InChIKeyYQXRMVJTLCDQCR-UHFFFAOYSA-N
MW277.47 g/mol
LogP3.15
Rot. Bonds12

About N-ethyl-1-ethylsulfonyldecan-4-amine

N-ethyl-1-ethylsulfonyldecan-4-amine (PubChem CID 115865211) has the molecular formula C14H31NO2S and a molecular weight of 277.47 g/mol. Its IUPAC name is N-ethyl-1-ethylsulfonyldecan-4-amine.

Molecular Properties

Compound NameN-ethyl-1-ethylsulfonyldecan-4-amine
PubChem CID115865211
Molecular FormulaC14H31NO2S
Molecular Weight277.47 g/mol
Exact Mass277.21
IUPAC NameN-ethyl-1-ethylsulfonyldecan-4-amine
SMILESCCCCCCC(CCCS(=O)(=O)CC)NCC
InChIInChI=1S/C14H31NO2S/c1-4-7-8-9-11-14(15-5-2)12-10-13-18(16,17)6-3/h14-15H,4-13H2,1-3H3
InChIKeyYQXRMVJTLCDQCR-UHFFFAOYSA-N
XLogP3.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.47
LogP ≤ 53.15
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-methylsulfonyldodecan-4-amine
CID 115820985
N-ethyl-1-methylsulfonylnonan-4-amine
CID 115820293
N-ethyltetradecan-7-amine
CID 87847195
N-(2-ethylsulfonylethyl)undecan-6-amine
CID 103780991
N-ethylhexadecan-4-amine
CID 63413885
N-ethyldecan-5-amine
CID 79405026
N-ethylnonan-3-amine
CID 60996683
N-ethyl-7-ethylsulfonylhept-1-en-4-amine
CID 116660795
N-ethyl-2-methylheptadecan-6-amine
CID 105028964
2-(ethylamino)nonan-1-ol
CID 61050713
N-ethyldecan-3-amine;dihydrochloride
CID 175708733
2-(icosan-8-ylamino)ethanesulfonic acid
CID 170315512

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-ethylsulfonyldecan-4-amine?
The IUPAC name of N-ethyl-1-ethylsulfonyldecan-4-amine (CID 115865211) is N-ethyl-1-ethylsulfonyldecan-4-amine.
What is the SMILES notation for N-ethyl-1-ethylsulfonyldecan-4-amine?
The canonical SMILES for N-ethyl-1-ethylsulfonyldecan-4-amine is CCCCCCC(CCCS(=O)(=O)CC)NCC.
What is the InChIKey of N-ethyl-1-ethylsulfonyldecan-4-amine?
The InChIKey is YQXRMVJTLCDQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2S/c1-4-7-8-9-11-14(15-5-2)12-10-13-18(16,17)6-3/h14-15H,4-13H2,1-3H3.
What are the key properties of N-ethyl-1-ethylsulfonyldecan-4-amine?
N-ethyl-1-ethylsulfonyldecan-4-amine has a molecular weight of 277.47 g/mol, XLogP of 3.15, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-ethylsulfonyldecan-4-amine is sourced from PubChem (CID 115865211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).