3-ethylsulfonyl-N-(3-ethylsulfonylprop-2-enyl)prop-2-en-1-amine

C10H19NO4S2 — CID 57010544

IUPAC3-ethylsulfonyl-N-(3-ethylsulfonylprop-2-enyl)prop-2-en-1-amine
SMILESCCS(=O)(=O)C=CCNCC=CS(=O)(=O)CC
InChIInChI=1S/C10H19NO4S2/c1-3-16(12,13)9-5-7-11-8-6-10-17(14,15)4-2/h5-6,9-11H,3-4,7-8H2,1-2H3
InChIKeyMNRSBKPXSWQFHX-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.47
Rot. Bonds8

About 3-ethylsulfonyl-N-(3-ethylsulfonylprop-2-enyl)prop-2-en-1-amine

3-ethylsulfonyl-N-(3-ethylsulfonylprop-2-enyl)prop-2-en-1-amine (PubChem CID 57010544) has the molecular formula C10H19NO4S2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-ethylsulfonyl-N-(3-ethylsulfonylprop-2-enyl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-ethylsulfonyl-N-(3-ethylsulfonylprop-2-enyl)prop-2-en-1-amine
PubChem CID57010544
Molecular FormulaC10H19NO4S2
Molecular Weight281.40 g/mol
Exact Mass281.08
IUPAC Name3-ethylsulfonyl-N-(3-ethylsulfonylprop-2-enyl)prop-2-en-1-amine
SMILESCCS(=O)(=O)C=CCNCC=CS(=O)(=O)CC
InChIInChI=1S/C10H19NO4S2/c1-3-16(12,13)9-5-7-11-8-6-10-17(14,15)4-2/h5-6,9-11H,3-4,7-8H2,1-2H3
InChIKeyMNRSBKPXSWQFHX-UHFFFAOYSA-N
XLogP0.47
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethenylsulfonyl-N-(2-ethenylsulfonylethyl)ethanamine
CID 19834397
2-ethenylsulfonyl-N-methylethanamine;propane
CID 53660640
3-(Ethenesulfonyl)-N-[3-(ethenesulfonyl)propyl]propan-1-amine
CID 54537922
N-ethyl-3-ethylsulfonylprop-2-en-1-amine
CID 57239555
N-(2-methylsulfonylethyl)prop-2-en-1-amine
CID 60712073
3-methylsulfonyl-N-prop-2-enylpropan-1-amine
CID 62140502
1-ethenylsulfonyl-N-(1-ethenylsulfonylprop-2-enyl)prop-2-en-1-amine
CID 88100620
3-[Bis(prop-2-enyl)azaniumyl]propane-1-sulfonate
CID 118194101
(E)-N-methyl-3-methylsulfonylprop-2-en-1-amine
CID 149363350
(E)-N,N-diethyl-3-[2-(methylamino)ethylsulfonyl]prop-2-en-1-amine
CID 168260804
(E)-N,N-dimethyl-3-[2-(methylamino)ethylsulfonyl]prop-2-en-1-amine
CID 168261784
N-prop-2-enyl-1-prop-2-enylsulfonylprop-2-en-1-amine
CID 173111509

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-N-(3-ethylsulfonylprop-2-enyl)prop-2-en-1-amine?
The IUPAC name of 3-ethylsulfonyl-N-(3-ethylsulfonylprop-2-enyl)prop-2-en-1-amine (CID 57010544) is 3-ethylsulfonyl-N-(3-ethylsulfonylprop-2-enyl)prop-2-en-1-amine.
What is the SMILES notation for 3-ethylsulfonyl-N-(3-ethylsulfonylprop-2-enyl)prop-2-en-1-amine?
The canonical SMILES for 3-ethylsulfonyl-N-(3-ethylsulfonylprop-2-enyl)prop-2-en-1-amine is CCS(=O)(=O)C=CCNCC=CS(=O)(=O)CC.
What is the InChIKey of 3-ethylsulfonyl-N-(3-ethylsulfonylprop-2-enyl)prop-2-en-1-amine?
The InChIKey is MNRSBKPXSWQFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S2/c1-3-16(12,13)9-5-7-11-8-6-10-17(14,15)4-2/h5-6,9-11H,3-4,7-8H2,1-2H3.
What are the key properties of 3-ethylsulfonyl-N-(3-ethylsulfonylprop-2-enyl)prop-2-en-1-amine?
3-ethylsulfonyl-N-(3-ethylsulfonylprop-2-enyl)prop-2-en-1-amine has a molecular weight of 281.40 g/mol, XLogP of 0.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-N-(3-ethylsulfonylprop-2-enyl)prop-2-en-1-amine is sourced from PubChem (CID 57010544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).