N-ethyl-1-methylsulfonylnonan-4-amine

C12H27NO2S — CID 115820293

IUPACN-ethyl-1-methylsulfonylnonan-4-amine
SMILESCCCCCC(CCCS(C)(=O)=O)NCC
InChIInChI=1S/C12H27NO2S/c1-4-6-7-9-12(13-5-2)10-8-11-16(3,14)15/h12-13H,4-11H2,1-3H3
InChIKeyYRUPBFFBADYVSO-UHFFFAOYSA-N
MW249.42 g/mol
LogP2.37
Rot. Bonds10

About N-ethyl-1-methylsulfonylnonan-4-amine

N-ethyl-1-methylsulfonylnonan-4-amine (PubChem CID 115820293) has the molecular formula C12H27NO2S and a molecular weight of 249.42 g/mol. Its IUPAC name is N-ethyl-1-methylsulfonylnonan-4-amine.

Molecular Properties

Compound NameN-ethyl-1-methylsulfonylnonan-4-amine
PubChem CID115820293
Molecular FormulaC12H27NO2S
Molecular Weight249.42 g/mol
Exact Mass249.18
IUPAC NameN-ethyl-1-methylsulfonylnonan-4-amine
SMILESCCCCCC(CCCS(C)(=O)=O)NCC
InChIInChI=1S/C12H27NO2S/c1-4-6-7-9-12(13-5-2)10-8-11-16(3,14)15/h12-13H,4-11H2,1-3H3
InChIKeyYRUPBFFBADYVSO-UHFFFAOYSA-N
XLogP2.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 52.37
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-ethylsulfonyldecan-4-amine
CID 115865211
1-ethoxy-N-ethyl-7-methylsulfonylheptan-4-amine
CID 105112924
N-ethyldecan-5-amine
CID 79405026
N-ethyltetradecan-7-amine
CID 87847195
N-ethyl-1,1,1-trifluoro-6-methylsulfonylhexan-3-amine
CID 63192586
7-(3-methylsulfonylpropyl)tridecane
CID 134251360
N-ethylhexadecan-4-amine
CID 63413885
1-cyclobutyl-N-ethyl-5-methylsulfonylpentan-2-amine
CID 103168351
N-(2-ethylsulfonylethyl)undecan-6-amine
CID 103780991
N-ethyl-6,8,8-trimethyl-1-methylsulfonylnonan-4-amine
CID 115820792
N-ethyl-6-methyl-1-methylsulfonylheptan-3-amine
CID 62604483

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methylsulfonylnonan-4-amine?
The IUPAC name of N-ethyl-1-methylsulfonylnonan-4-amine (CID 115820293) is N-ethyl-1-methylsulfonylnonan-4-amine.
What is the SMILES notation for N-ethyl-1-methylsulfonylnonan-4-amine?
The canonical SMILES for N-ethyl-1-methylsulfonylnonan-4-amine is CCCCCC(CCCS(C)(=O)=O)NCC.
What is the InChIKey of N-ethyl-1-methylsulfonylnonan-4-amine?
The InChIKey is YRUPBFFBADYVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2S/c1-4-6-7-9-12(13-5-2)10-8-11-16(3,14)15/h12-13H,4-11H2,1-3H3.
What are the key properties of N-ethyl-1-methylsulfonylnonan-4-amine?
N-ethyl-1-methylsulfonylnonan-4-amine has a molecular weight of 249.42 g/mol, XLogP of 2.37, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methylsulfonylnonan-4-amine is sourced from PubChem (CID 115820293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).