2-methyl-2-methylsulfonyloct-7-en-3-amine

C10H21NO2S — CID 104986897

IUPAC2-methyl-2-methylsulfonyloct-7-en-3-amine
SMILESC=CCCCC(N)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C10H21NO2S/c1-5-6-7-8-9(11)10(2,3)14(4,12)13/h5,9H,1,6-8,11H2,2-4H3
InChIKeyHVDRTILQMYMPHK-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.49
Rot. Bonds6

About 2-methyl-2-methylsulfonyloct-7-en-3-amine

2-methyl-2-methylsulfonyloct-7-en-3-amine (PubChem CID 104986897) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 2-methyl-2-methylsulfonyloct-7-en-3-amine.

Molecular Properties

Compound Name2-methyl-2-methylsulfonyloct-7-en-3-amine
PubChem CID104986897
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name2-methyl-2-methylsulfonyloct-7-en-3-amine
SMILESC=CCCCC(N)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C10H21NO2S/c1-5-6-7-8-9(11)10(2,3)14(4,12)13/h5,9H,1,6-8,11H2,2-4H3
InChIKeyHVDRTILQMYMPHK-UHFFFAOYSA-N
XLogP1.49
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-(Methylsulfonylmethyl)oct-7-en-3-amine
CID 89357472
4-Amino-5-methyldec-1-ene-5-sulfonic acid
CID 174712620
4-(1-Aminoethyl)non-1-ene-4-sulfonic acid
CID 175414911
1-(Cyclohexen-1-yl)-2-methyl-2-methylsulfonylpropan-1-amine
CID 64019107
1-(Cyclopenten-1-yl)-2-methyl-2-methylsulfonylpropan-1-amine
CID 64019527
(2R)-1-[(E)-hex-1-enyl]sulfonylpentan-2-amine
CID 72947006
2-methyl-2-methylsulfonyl-N-propyloct-7-en-3-amine
CID 104986678
N-ethyl-2-methyl-2-methylsulfonyloct-7-en-3-amine
CID 104986760
N,2-dimethyl-2-methylsulfonyloct-7-en-3-amine
CID 104986896
2-Methylsulfonyloct-7-en-3-amine
CID 104987028
2-methyl-2-methylsulfonyl-N-propylhept-6-en-3-amine
CID 104987269
N-ethyl-2-methyl-2-methylsulfonylhept-6-en-3-amine
CID 104987354

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-methylsulfonyloct-7-en-3-amine?
The IUPAC name of 2-methyl-2-methylsulfonyloct-7-en-3-amine (CID 104986897) is 2-methyl-2-methylsulfonyloct-7-en-3-amine.
What is the SMILES notation for 2-methyl-2-methylsulfonyloct-7-en-3-amine?
The canonical SMILES for 2-methyl-2-methylsulfonyloct-7-en-3-amine is C=CCCCC(N)C(C)(C)S(C)(=O)=O.
What is the InChIKey of 2-methyl-2-methylsulfonyloct-7-en-3-amine?
The InChIKey is HVDRTILQMYMPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-5-6-7-8-9(11)10(2,3)14(4,12)13/h5,9H,1,6-8,11H2,2-4H3.
What are the key properties of 2-methyl-2-methylsulfonyloct-7-en-3-amine?
2-methyl-2-methylsulfonyloct-7-en-3-amine has a molecular weight of 219.35 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylsulfonyloct-7-en-3-amine is sourced from PubChem (CID 104986897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).