ethane;(Z)-N-methyl-N-(3-methylsulfonylpropyl)hex-2-en-1-amine

C15H35NO2S — CID 144566598

IUPACethane;(Z)-N-methyl-N-(3-methylsulfonylpropyl)hex-2-en-1-amine
SMILESCC.CC.CCC/C=C\CN(C)CCCS(C)(=O)=O
InChIInChI=1S/C11H23NO2S.2C2H6/c1-4-5-6-7-9-12(2)10-8-11-15(3,13)14;2*1-2/h6-7H,4-5,8-11H2,1-3H3;2*1-2H3/b7-6-;;
InChIKeyNDGKUWVJKWTYRE-AQTVDGORSA-N
MW293.52 g/mol
LogP3.76
Rot. Bonds8

About ethane;(Z)-N-methyl-N-(3-methylsulfonylpropyl)hex-2-en-1-amine

ethane;(Z)-N-methyl-N-(3-methylsulfonylpropyl)hex-2-en-1-amine (PubChem CID 144566598) has the molecular formula C15H35NO2S and a molecular weight of 293.52 g/mol. Its IUPAC name is ethane;(Z)-N-methyl-N-(3-methylsulfonylpropyl)hex-2-en-1-amine.

Molecular Properties

Compound Nameethane;(Z)-N-methyl-N-(3-methylsulfonylpropyl)hex-2-en-1-amine
PubChem CID144566598
Molecular FormulaC15H35NO2S
Molecular Weight293.52 g/mol
Exact Mass293.24
IUPAC Nameethane;(Z)-N-methyl-N-(3-methylsulfonylpropyl)hex-2-en-1-amine
SMILESCC.CC.CCC/C=C\CN(C)CCCS(C)(=O)=O
InChIInChI=1S/C11H23NO2S.2C2H6/c1-4-5-6-7-9-12(2)10-8-11-15(3,13)14;2*1-2/h6-7H,4-5,8-11H2,1-3H3;2*1-2H3/b7-6-;;
InChIKeyNDGKUWVJKWTYRE-AQTVDGORSA-N
XLogP3.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.52
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N-methyl-N-(3-methylsulfonylpropyl)hex-2-en-1-amine?
The IUPAC name of ethane;(Z)-N-methyl-N-(3-methylsulfonylpropyl)hex-2-en-1-amine (CID 144566598) is ethane;(Z)-N-methyl-N-(3-methylsulfonylpropyl)hex-2-en-1-amine.
What is the SMILES notation for ethane;(Z)-N-methyl-N-(3-methylsulfonylpropyl)hex-2-en-1-amine?
The canonical SMILES for ethane;(Z)-N-methyl-N-(3-methylsulfonylpropyl)hex-2-en-1-amine is CC.CC.CCC/C=C\CN(C)CCCS(C)(=O)=O.
What is the InChIKey of ethane;(Z)-N-methyl-N-(3-methylsulfonylpropyl)hex-2-en-1-amine?
The InChIKey is NDGKUWVJKWTYRE-AQTVDGORSA-N. The full InChI is InChI=1S/C11H23NO2S.2C2H6/c1-4-5-6-7-9-12(2)10-8-11-15(3,13)14;2*1-2/h6-7H,4-5,8-11H2,1-3H3;2*1-2H3/b7-6-;;.
What are the key properties of ethane;(Z)-N-methyl-N-(3-methylsulfonylpropyl)hex-2-en-1-amine?
ethane;(Z)-N-methyl-N-(3-methylsulfonylpropyl)hex-2-en-1-amine has a molecular weight of 293.52 g/mol, XLogP of 3.76, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-methyl-N-(3-methylsulfonylpropyl)hex-2-en-1-amine is sourced from PubChem (CID 144566598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).