N-ethyl-6-ethylsulfonyl-1-(furan-2-yl)hexan-3-amine

C14H25NO3S — CID 105152508

IUPACN-ethyl-6-ethylsulfonyl-1-(furan-2-yl)hexan-3-amine
SMILESCCNC(CCCS(=O)(=O)CC)CCc1ccco1
InChIInChI=1S/C14H25NO3S/c1-3-15-13(7-6-12-19(16,17)4-2)9-10-14-8-5-11-18-14/h5,8,11,13,15H,3-4,6-7,9-10,12H2,1-2H3
InChIKeyZTLPCDFPQPXYNI-UHFFFAOYSA-N
MW287.42 g/mol
LogP2.41
Rot. Bonds10

About N-ethyl-6-ethylsulfonyl-1-(furan-2-yl)hexan-3-amine

N-ethyl-6-ethylsulfonyl-1-(furan-2-yl)hexan-3-amine (PubChem CID 105152508) has the molecular formula C14H25NO3S and a molecular weight of 287.42 g/mol. Its IUPAC name is N-ethyl-6-ethylsulfonyl-1-(furan-2-yl)hexan-3-amine.

Molecular Properties

Compound NameN-ethyl-6-ethylsulfonyl-1-(furan-2-yl)hexan-3-amine
PubChem CID105152508
Molecular FormulaC14H25NO3S
Molecular Weight287.42 g/mol
Exact Mass287.16
IUPAC NameN-ethyl-6-ethylsulfonyl-1-(furan-2-yl)hexan-3-amine
SMILESCCNC(CCCS(=O)(=O)CC)CCc1ccco1
InChIInChI=1S/C14H25NO3S/c1-3-15-13(7-6-12-19(16,17)4-2)9-10-14-8-5-11-18-14/h5,8,11,13,15H,3-4,6-7,9-10,12H2,1-2H3
InChIKeyZTLPCDFPQPXYNI-UHFFFAOYSA-N
XLogP2.41
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(furan-2-yl)-6-phenylhexan-3-amine
CID 105139753
1-(furan-2-yl)-N-methyl-6-methylsulfonylhexan-3-amine
CID 105113102
N-ethyl-4-(furan-2-yl)-1-phenylbutan-2-amine
CID 61064729
N-ethyl-1-ethylsulfonyl-7-thiophen-2-ylheptan-4-amine
CID 105152716
1-(furan-2-yl)-N-propyldodecan-3-amine
CID 105124522
1-cyclopentyl-N-ethyl-4-(furan-2-yl)butan-2-amine
CID 105138868
N-ethyl-4-(furan-2-yl)-1-(2-nitrophenyl)butan-2-amine
CID 61065495
N-ethyl-1-(furan-2-yl)-4-methylhexan-3-amine
CID 105170422
N-ethyl-1-(4-fluorophenyl)-3-(furan-2-yl)propan-1-amine
CID 105087868
1-(5-chloro-2-fluorophenyl)-N-ethyl-4-(furan-2-yl)butan-2-amine
CID 103053051
1-(furan-2-yl)hexan-3-ylhydrazine
CID 105282196
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-4-(furan-2-yl)butan-2-amine
CID 105162710

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-ethylsulfonyl-1-(furan-2-yl)hexan-3-amine?
The IUPAC name of N-ethyl-6-ethylsulfonyl-1-(furan-2-yl)hexan-3-amine (CID 105152508) is N-ethyl-6-ethylsulfonyl-1-(furan-2-yl)hexan-3-amine.
What is the SMILES notation for N-ethyl-6-ethylsulfonyl-1-(furan-2-yl)hexan-3-amine?
The canonical SMILES for N-ethyl-6-ethylsulfonyl-1-(furan-2-yl)hexan-3-amine is CCNC(CCCS(=O)(=O)CC)CCc1ccco1.
What is the InChIKey of N-ethyl-6-ethylsulfonyl-1-(furan-2-yl)hexan-3-amine?
The InChIKey is ZTLPCDFPQPXYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3S/c1-3-15-13(7-6-12-19(16,17)4-2)9-10-14-8-5-11-18-14/h5,8,11,13,15H,3-4,6-7,9-10,12H2,1-2H3.
What are the key properties of N-ethyl-6-ethylsulfonyl-1-(furan-2-yl)hexan-3-amine?
N-ethyl-6-ethylsulfonyl-1-(furan-2-yl)hexan-3-amine has a molecular weight of 287.42 g/mol, XLogP of 2.41, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-ethylsulfonyl-1-(furan-2-yl)hexan-3-amine is sourced from PubChem (CID 105152508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).