2-ethenyl-5-ethylsulfonyl-2-methylpentan-1-amine

C10H21NO2S — CID 102640384

IUPAC2-ethenyl-5-ethylsulfonyl-2-methylpentan-1-amine
SMILESC=CC(C)(CN)CCCS(=O)(=O)CC
InChIInChI=1S/C10H21NO2S/c1-4-10(3,9-11)7-6-8-14(12,13)5-2/h4H,1,5-9,11H2,2-3H3
InChIKeyVNMCAAUPVCUUGJ-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.35
Rot. Bonds7

About 2-ethenyl-5-ethylsulfonyl-2-methylpentan-1-amine

2-ethenyl-5-ethylsulfonyl-2-methylpentan-1-amine (PubChem CID 102640384) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 2-ethenyl-5-ethylsulfonyl-2-methylpentan-1-amine.

Molecular Properties

Compound Name2-ethenyl-5-ethylsulfonyl-2-methylpentan-1-amine
PubChem CID102640384
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name2-ethenyl-5-ethylsulfonyl-2-methylpentan-1-amine
SMILESC=CC(C)(CN)CCCS(=O)(=O)CC
InChIInChI=1S/C10H21NO2S/c1-4-10(3,9-11)7-6-8-14(12,13)5-2/h4H,1,5-9,11H2,2-3H3
InChIKeyVNMCAAUPVCUUGJ-UHFFFAOYSA-N
XLogP1.35
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-hex-5-enyl-3,3-dimethylbutane-1-sulfonamide
CID 89967294
2-Methyl-2-(2-methylsulfonylethyl)but-3-en-1-amine
CID 102640283
2-Ethenyl-2-methyl-5-methylsulfonylpentan-1-amine
CID 102640295
2-(2-Ethylsulfonylethyl)-2-methylbut-3-en-1-amine
CID 102640370
2-Ethenyl-5-ethylsulfanyl-2-methylpentan-1-amine
CID 102640383
N,2-dimethyl-2-(2-methylsulfonylethyl)but-3-en-1-amine
CID 102640464
2-ethenyl-N,2-dimethyl-5-methylsulfonylpentan-1-amine
CID 102640476
2-(2-ethylsulfonylethyl)-N,2-dimethylbut-3-en-1-amine
CID 102640549
2-ethenyl-5-ethylsulfonyl-N,2-dimethylpentan-1-amine
CID 102640561
2-ethenyl-N-ethyl-2-methyl-5-methylsulfonylpentan-1-amine
CID 102640649
2-ethenyl-N-ethyl-5-ethylsulfonyl-2-methylpentan-1-amine
CID 102640730
2-ethenyl-2-methyl-5-methylsulfonyl-N-propylpentan-1-amine
CID 102640816

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-ethylsulfonyl-2-methylpentan-1-amine?
The IUPAC name of 2-ethenyl-5-ethylsulfonyl-2-methylpentan-1-amine (CID 102640384) is 2-ethenyl-5-ethylsulfonyl-2-methylpentan-1-amine.
What is the SMILES notation for 2-ethenyl-5-ethylsulfonyl-2-methylpentan-1-amine?
The canonical SMILES for 2-ethenyl-5-ethylsulfonyl-2-methylpentan-1-amine is C=CC(C)(CN)CCCS(=O)(=O)CC.
What is the InChIKey of 2-ethenyl-5-ethylsulfonyl-2-methylpentan-1-amine?
The InChIKey is VNMCAAUPVCUUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-4-10(3,9-11)7-6-8-14(12,13)5-2/h4H,1,5-9,11H2,2-3H3.
What are the key properties of 2-ethenyl-5-ethylsulfonyl-2-methylpentan-1-amine?
2-ethenyl-5-ethylsulfonyl-2-methylpentan-1-amine has a molecular weight of 219.35 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-ethylsulfonyl-2-methylpentan-1-amine is sourced from PubChem (CID 102640384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).