5-ethylsulfonyl-2-methyl-N-propylpentan-1-amine

C11H25NO2S — CID 65097226

IUPAC5-ethylsulfonyl-2-methyl-N-propylpentan-1-amine
SMILESCCCNCC(C)CCCS(=O)(=O)CC
InChIInChI=1S/C11H25NO2S/c1-4-8-12-10-11(3)7-6-9-15(13,14)5-2/h11-12H,4-10H2,1-3H3
InChIKeyYGYOWFVTCIZQAA-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.84
Rot. Bonds9

About 5-ethylsulfonyl-2-methyl-N-propylpentan-1-amine

5-ethylsulfonyl-2-methyl-N-propylpentan-1-amine (PubChem CID 65097226) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is 5-ethylsulfonyl-2-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name5-ethylsulfonyl-2-methyl-N-propylpentan-1-amine
PubChem CID65097226
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC Name5-ethylsulfonyl-2-methyl-N-propylpentan-1-amine
SMILESCCCNCC(C)CCCS(=O)(=O)CC
InChIInChI=1S/C11H25NO2S/c1-4-8-12-10-11(3)7-6-9-15(13,14)5-2/h11-12H,4-10H2,1-3H3
InChIKeyYGYOWFVTCIZQAA-UHFFFAOYSA-N
XLogP1.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 51.84
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

2-ethyl-4-ethylsulfonyl-N-propylbutan-1-amine
CID 62529760
N-ethyl-2-methyl-5-methylsulfonylpentan-1-amine
CID 63195916
2-(2-methylpentylamino)ethanesulfonamide
CID 43551734
4-(2-methylbutylsulfonyl)-N-propylbutan-1-amine
CID 107757626
(2S)-2-methyl-N-propyldec-9-yn-1-amine
CID 138547363
2-(2-chlorophenyl)-5-ethylsulfonyl-N-propylpentan-1-amine
CID 79436264
7-ethylsulfonyl-N-propylheptan-2-amine
CID 65096990
2-phenyl-N-propyl-5-propylsulfonylpentan-1-amine
CID 106735539
2-tert-butyl-5-methylsulfonyl-N-propylpentan-1-amine
CID 83139123
N'-[(2S)-2-methylpentyl]ethane-1,2-diamine
CID 122599067
3-methyl-4-(propylamino)butanal
CID 123538675
N-(2-methylpropyl)-5-propylsulfonylpentan-1-amine
CID 106732243

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-2-methyl-N-propylpentan-1-amine?
The IUPAC name of 5-ethylsulfonyl-2-methyl-N-propylpentan-1-amine (CID 65097226) is 5-ethylsulfonyl-2-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 5-ethylsulfonyl-2-methyl-N-propylpentan-1-amine?
The canonical SMILES for 5-ethylsulfonyl-2-methyl-N-propylpentan-1-amine is CCCNCC(C)CCCS(=O)(=O)CC.
What is the InChIKey of 5-ethylsulfonyl-2-methyl-N-propylpentan-1-amine?
The InChIKey is YGYOWFVTCIZQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-4-8-12-10-11(3)7-6-9-15(13,14)5-2/h11-12H,4-10H2,1-3H3.
What are the key properties of 5-ethylsulfonyl-2-methyl-N-propylpentan-1-amine?
5-ethylsulfonyl-2-methyl-N-propylpentan-1-amine has a molecular weight of 235.39 g/mol, XLogP of 1.84, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-2-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 65097226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).