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

C14H29NO3S — CID 115865230

IUPACN-ethyl-6-ethylsulfonyl-1-(oxolan-2-yl)hexan-3-amine
SMILESCCNC(CCCS(=O)(=O)CC)CCC1CCCO1
InChIInChI=1S/C14H29NO3S/c1-3-15-13(7-6-12-19(16,17)4-2)9-10-14-8-5-11-18-14/h13-15H,3-12H2,1-2H3
InChIKeyGCLAYOZXJGLGDX-UHFFFAOYSA-N
MW291.46 g/mol
LogP2.14
Rot. Bonds10

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

N-ethyl-6-ethylsulfonyl-1-(oxolan-2-yl)hexan-3-amine (PubChem CID 115865230) has the molecular formula C14H29NO3S and a molecular weight of 291.46 g/mol. Its IUPAC name is N-ethyl-6-ethylsulfonyl-1-(oxolan-2-yl)hexan-3-amine.

Molecular Properties

Compound NameN-ethyl-6-ethylsulfonyl-1-(oxolan-2-yl)hexan-3-amine
PubChem CID115865230
Molecular FormulaC14H29NO3S
Molecular Weight291.46 g/mol
Exact Mass291.19
IUPAC NameN-ethyl-6-ethylsulfonyl-1-(oxolan-2-yl)hexan-3-amine
SMILESCCNC(CCCS(=O)(=O)CC)CCC1CCCO1
InChIInChI=1S/C14H29NO3S/c1-3-15-13(7-6-12-19(16,17)4-2)9-10-14-8-5-11-18-14/h13-15H,3-12H2,1-2H3
InChIKeyGCLAYOZXJGLGDX-UHFFFAOYSA-N
XLogP2.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(oxolan-2-yl)heptan-3-amine
CID 79404378
6-methylsulfonyl-1-(oxan-2-yl)-N-propylhexan-3-amine
CID 115820960
N-ethyl-1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 65164506
1-(oxolan-2-yl)-N-propyloctan-3-amine
CID 115837005
N-ethyl-1-methoxy-5-(oxolan-2-yl)pentan-2-amine
CID 65161819
N-ethyl-1-(2-methylpropylsulfanyl)-4-(oxolan-2-yl)butan-2-amine
CID 65164626
5-ethylsulfonyl-1-(oxolan-2-yl)pentan-2-ol
CID 65098323
N-ethyl-1,1,1-trifluoro-6-(oxolan-2-yl)hexan-3-amine
CID 65164289
1-(2,6-dimethylphenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine
CID 105024443
N-[2-(oxolan-2-yl)ethyl]undecan-6-amine
CID 63452863
N-ethyl-1-(oxolan-2-yl)decan-2-amine
CID 62600159
N-ethyl-1-(4-fluorophenyl)-5-(oxolan-2-yl)pentan-2-amine
CID 65167136

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-ethylsulfonyl-1-(oxolan-2-yl)hexan-3-amine?
The IUPAC name of N-ethyl-6-ethylsulfonyl-1-(oxolan-2-yl)hexan-3-amine (CID 115865230) is N-ethyl-6-ethylsulfonyl-1-(oxolan-2-yl)hexan-3-amine.
What is the SMILES notation for N-ethyl-6-ethylsulfonyl-1-(oxolan-2-yl)hexan-3-amine?
The canonical SMILES for N-ethyl-6-ethylsulfonyl-1-(oxolan-2-yl)hexan-3-amine is CCNC(CCCS(=O)(=O)CC)CCC1CCCO1.
What is the InChIKey of N-ethyl-6-ethylsulfonyl-1-(oxolan-2-yl)hexan-3-amine?
The InChIKey is GCLAYOZXJGLGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3S/c1-3-15-13(7-6-12-19(16,17)4-2)9-10-14-8-5-11-18-14/h13-15H,3-12H2,1-2H3.
What are the key properties of N-ethyl-6-ethylsulfonyl-1-(oxolan-2-yl)hexan-3-amine?
N-ethyl-6-ethylsulfonyl-1-(oxolan-2-yl)hexan-3-amine has a molecular weight of 291.46 g/mol, XLogP of 2.14, 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-(oxolan-2-yl)hexan-3-amine is sourced from PubChem (CID 115865230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).